1-(cyclopropanesulfonyl)-3,3-diphenylpiperidine

• ChemBase ID: 657320
• Molecular Formular: C20H23NO2S
• Molecular Mass: 341.46712
• Monoisotopic Mass: 341.14494998
• SMILES: S(=O)(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)C1CC1
• Canonical SMILES: O=S(=O)(N1CCCC(C1)(c1ccccc1)c1ccccc1)C1CC1
• InChI: InChI=1S/C20H23NO2S/c22-24(23,19-12-13-19)21-15-7-14-20(16-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
• InChIKey: KTMUBVIWVOSXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropanesulfonyl)-3,3-diphenylpiperidine
• IUPAC Traditional name: 1-(cyclopropanesulfonyl)-3,3-diphenylpiperidine
• Synonyms: 1-(cyclopropylsulfonyl)-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5429933
• LogD (pH = 7.4): 3.5429933
• Log P: 3.5429933
• Molar Refractivity: 107.0152 cm^3
• Polarizability: 38.505657 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.23
• LOG S: -5.58
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3