N-(1-{[3-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)methanesulfonamide

• ChemBase ID: 388690
• Molecular Formular: C18H28N2O3S
• Molecular Mass: 352.49152
• Monoisotopic Mass: 352.18206377
• SMILES: S(=O)(=O)(NC1CCN(Cc2cc(OC3CCCC3)ccc2)CC1)C
• Canonical SMILES: CS(=O)(=O)NC1CCN(CC1)Cc1cccc(c1)OC1CCCC1
• InChI: InChI=1S/C18H28N2O3S/c1-24(21,22)19-16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-3-7-17/h4-5,8,13,16-17,19H,2-3,6-7,9-12,14H2,1H3
• InChIKey: DPJAPBCKICSJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{[3-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)methanesulfonamide
• IUPAC Traditional name: N-(1-{[3-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)methanesulfonamide
• Synonyms: N-{1-[3-(cyclopentyloxy)benzyl]piperidin-4-yl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.532096
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39756694
• LogD (pH = 7.4): 1.2570523
• Log P: 1.6367364
• Molar Refractivity: 95.9037 cm^3
• Polarizability: 38.479942 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.48
• LOG S: -2.88
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5