(benzylsulfamoyl)({[1-(pyrrolidin-1-yl)cyclopentyl]methyl})amine

• ChemBase ID: 495076
• Molecular Formular: C17H27N3O2S
• Molecular Mass: 337.48018
• Monoisotopic Mass: 337.18239812
• SMILES: S(=O)(=O)(NCC1(N2CCCC2)CCCC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(NCC1(CCCC1)N1CCCC1)NCc1ccccc1
• InChI: InChI=1S/C17H27N3O2S/c21-23(22,18-14-16-8-2-1-3-9-16)19-15-17(10-4-5-11-17)20-12-6-7-13-20/h1-3,8-9,18-19H,4-7,10-15H2
• InChIKey: SPKRYUJRPFWRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)({[1-(pyrrolidin-1-yl)cyclopentyl]methyl})amine
• IUPAC Traditional name: (benzylsulfamoyl)({[1-(pyrrolidin-1-yl)cyclopentyl]methyl})amine
• Synonyms: N-benzyl-N'-[(1-pyrrolidin-1-ylcyclopentyl)methyl]sulfamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -2.9
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 2
• Log P: 2.63

JChem

• Molar Refractivity: 93.1105 cm^3
• Polarizability: 37.486237 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.140174
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1496415
• LogD (pH = 7.4): 0.5501831
• Log P: 1.6538626