4,4-dimethylcyclohexane-1-sulfonamide

• ChemBase ID: 242454
• Molecular Formular: C8H17NO2S
• Molecular Mass: 191.29108
• Monoisotopic Mass: 191.09799979
• SMILES: S(=O)(=O)(C1CCC(CC1)(C)C)N
• Canonical SMILES: CC1(C)CCC(CC1)S(=O)(=O)N
• InChI: InChI=1S/C8H17NO2S/c1-8(2)5-3-7(4-6-8)12(9,10)11/h7H,3-6H2,1-2H3,(H2,9,10,11)
• InChIKey: OJKXYRPFRFQMNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylcyclohexane-1-sulfonamide
• IUPAC Traditional name: 4,4-dimethylcyclohexane-1-sulfonamide
• Synonyms: 4,4-dimethylcyclohexane-1-sulfonamide

Database IDs

• MDL Number: MFCD20319918
• PubChem SID: 164298364
• PubChem CID: 64400138

CALCULATED PROPERTIES

• Acid pKa: 11.334966
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1554651
• LogD (pH = 7.4): 1.155421
• Log P: 1.1554657
• Molar Refractivity: 48.3524 cm^3
• Polarizability: 20.067575 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.575

Product Information

• Purity: 95%