1-cyclohexyl-N-methylmethanesulfonamide

• ChemBase ID: 283017
• Molecular Formular: C8H17NO2S
• Molecular Mass: 191.29108
• Monoisotopic Mass: 191.09799979
• SMILES: S(=O)(=O)(NC)CC1CCCCC1
• Canonical SMILES: CNS(=O)(=O)CC1CCCCC1
• InChI: InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
• InChIKey: PFWYRMPHHJKJBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-methylmethanesulfonamide
• IUPAC Traditional name: 1-cyclohexyl-N-methylmethanesulfonamide
• Synonyms: 1-cyclohexyl-N-methylmethanesulfonamide

Database IDs

• MDL Number: MFCD14669804
• PubChem SID: 180668548
• PubChem CID: 19877943

CALCULATED PROPERTIES

• Acid pKa: 11.254815
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95489836
• LogD (pH = 7.4): 0.9548453
• Log P: 0.954899
• Molar Refractivity: 48.8324 cm^3
• Polarizability: 20.067575 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.782

Product Information

• Purity: 95%