3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

• ChemBase ID: 705770
• Molecular Formular: C14H29N3O2S
• Molecular Mass: 303.46396
• Monoisotopic Mass: 303.19804818
• SMILES: S(=O)(=O)(N1CC(NC2CCCCC2)CCCC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCCCC(C1)NC1CCCCC1)C
• InChI: InChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3
• InChIKey: NPBBXQFNFBDAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
• IUPAC Traditional name: 3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
• Synonyms: 3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.95427
• LogD (pH = 7.4): -1.0641137
• Log P: 1.2484007
• Molar Refractivity: 81.9792 cm^3
• Polarizability: 33.42447 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.91
• LOG S: -1.18
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2