N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopropanesulfonamide

• ChemBase ID: 663104
• Molecular Formular: C17H26N2O2S
• Molecular Mass: 322.46554
• Monoisotopic Mass: 322.17149908
• SMILES: S(=O)(=O)(C1CC1)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=S(=O)(C1CC1)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C17H26N2O2S/c20-22(21,17-10-11-17)18-16-9-5-13-19(14-16)12-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2
• InChIKey: YISRTLQUCGXMEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopropanesulfonamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopropanesulfonamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0168915
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08846761
• LogD (pH = 7.4): 1.6776534
• Log P: 2.4002817
• Molar Refractivity: 89.6213 cm^3
• Polarizability: 35.885647 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.56
• LOG S: -2.73
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6