cyclamate   Click here for help

GtoPdb Ligand ID: 12470

Synonyms: cyclamic acid | Cyclohexanesulfamic acid | Hexamic acid
Compound class: Synthetic organic
Comment: Cyclamate is a widely used synthetic artificial sweetener. Its use in general food products is banned in several countries.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.78
Molecular weight 179.24
XLogP 0.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C1CCC(CC1)NS(=O)(=O)O
Isomeric SMILES C1CCC(CC1)NS(=O)(=O)O
InChI 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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclohexylsulfamic acid
Synonyms Click here for help
cyclamic acid | Cyclohexanesulfamic acid | Hexamic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand cyclamate
Other databases
ChEBI CHEBI:15964
ChEMBL Ligand CHEMBL1206440
GtoPdb PubChem SID 479821260
PubChem CID 7533
Search Google for chemical match using the InChIKey HCAJEUSONLESMK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HCAJEUSONLESMK
UniChem Compound Search for chemical match using the InChIKey HCAJEUSONLESMK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HCAJEUSONLESMK-UHFFFAOYSA-N