ChemFOnt: Showing chemical card for Cyclamic acid (CFc000012535)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:00:38 UTC

Chemfont ID

CFc000012535

Molecule Identification

Common Name

Cyclamic acid

Definition

Cyclamic acid is an artificial sweetening agent, usually employed as Na or Ca salt (cyclamate). Use suspended in some countries, including USA, because of possible weak carcinogenic activity (disputed). Cyclamic acid is a permitted in EU at levels of 250-1600 ppm in food products.Cyclamic acid is a compound with formula C6H11NHSO2OH

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cyclohexylamide sulfate	ChEBI
Cyclohexylaminesulphonic acid	ChEBI
Cyclohexylsulfamate	ChEBI
Cylamic acid	ChEBI
Cyclohexylsulfamic acid	Kegg
Hexamic acid	Kegg
Cyclohexylamide sulfuric acid	Generator
Cyclohexylamide sulphate	Generator
Cyclohexylamide sulphuric acid	Generator
Cyclohexylaminesulfonate	Generator
Cyclohexylaminesulfonic acid	Generator
Cyclohexylaminesulphonate	Generator
Cyclohexylsulphamate	Generator
Cyclohexylsulphamic acid	Generator
Cylamate	Generator
Hexamate	Generator
Cyclamate	Generator
Asugryn	HMDB
Cyclamic acid, ban, usan	HMDB
Cyclohexanesulfamic acid	HMDB
Cyclohexanesulphamic acid	HMDB
Cyclohexyl-sulfamic acid	HMDB
Cyclohexylamidosulfuric acid	HMDB
Cyclohexylamidosulphuric acid	HMDB
Cyclohexylamine sulfamic acid	HMDB
Cyclohexylamine-N-sulfonic acid	HMDB
e952	HMDB
N-Cyclohexyl-sulfamic acid	HMDB
N-Cyclohexyl-sulfuric acid monoamide	HMDB
N-Cyclohexylsulfamic acid	HMDB
N-Cyclohexylsulphamic acid	HMDB
Polycat 200	HMDB
Sucaryl acid	HMDB
Sucaryl acidxine	HMDB
Cyclamate calcium (2:1) salt	HMDB
Cyclamate, calcium (2:1) salt, dihydrate	HMDB
Cyclamate, sodium salt	HMDB
Cyclamates	HMDB
Calcium cyclamate	HMDB
Cyclamate, calcium	HMDB
Cyclamate, sodium	HMDB
Sodium cyclamate	HMDB
Cyclamate, potassium	HMDB
Potassium cyclamate	HMDB
Cyclamic acid	MeSH

Chemical Formula

C₆H₁₃NO₃S

Average Molecular Weight

179.237

Monoisotopic Molecular Weight

179.061613977

IUPAC Name

N-cyclohexylsulfamic acid

Traditional Name

cyclamate

CAS Registry Number

100-88-9

SMILES

OS(=O)(=O)NC1CCCCC1

InChI Identifier

InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)

InChI Key

HCAJEUSONLESMK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Sulfamic acid derivatives

Sub Class

Cyclamates

Direct Parent

Cyclamates

Alternative Parents

Substituents

Cyclamic_acid_derivative
Sulfuric acid monoamide
Organic sulfuric acid or derivatives
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

sulfamic acids (CHEBI:15964 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 32966057)

Excreta

Biofluid or Excreta

Urine (PMID: 32966057)

Cellular substructure

Extracellular (HMDB: HMDB0031340)
Cytoplasm (HMDB: HMDB0031340)

Source

Endogenous

Endogenous (HMDB: HMDB0031340)

Exogenous

Food

Food (HMDB: HMDB0031340)

Beverage

Diet carbonated soft drinks (HMDB: HMDB0031340)

Exogenous (HMDB: HMDB0031340)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	7.68 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	0.61	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	-0.83	ChemAxon
pKa (Strongest Basic)	-9.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.4 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	41.22 m³·mol⁻¹	ChemAxon
Polarizability	17.69 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon