sodium cyclohexane sulfamate

• ChemBase ID: 111110
• Molecular Formular: C6H14NNaO3S
• Molecular Mass: 203.23503
• Monoisotopic Mass: 203.05920859
• SMILES: C1CCCCC1.NS(=O)(=O)[O-].[Na+]
• Canonical SMILES: C1CCCCC1.[O-]S(=O)(=O)N.[Na+]
• InChI: InChI=1S/C6H12.H3NO3S.Na/c1-2-4-6-5-3-1;1-5(2,3)4;/h1-6H2;(H3,1,2,3,4);/q;;+1/p-1
• InChIKey: LGTMDZQTOADAIQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium cyclohexane sulfamate
• IUPAC Traditional name: potassium cyclohexane sulfamate
• Synonyms: SODIUM CYCLOHEXANE SULFAMATE

Database IDs

• CAS Number: 139-05-9
• PubChem SID: 162096061
• PubChem CID: 25022156

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.667412
• LogD (pH = 7.4): 2.667412
• Log P: 2.667412
• Molar Refractivity: 27.605999 cm^3
• Polarizability: 11.082252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217781

MP Biomedicals Rare Chemical collection