1-(ethanesulfonyl)-3,3-diphenylpiperidine

• ChemBase ID: 777462
• Molecular Formular: C19H23NO2S
• Molecular Mass: 329.45642
• Monoisotopic Mass: 329.14494998
• SMILES: S(=O)(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)CC
• Canonical SMILES: CCS(=O)(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H23NO2S/c1-2-23(21,22)20-15-9-14-19(16-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16H2,1H3
• InChIKey: UFMJMUPUFLNGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethanesulfonyl)-3,3-diphenylpiperidine
• IUPAC Traditional name: 1-(ethanesulfonyl)-3,3-diphenylpiperidine
• Synonyms: 1-(ethylsulfonyl)-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2820475
• LogD (pH = 7.4): 3.2820475
• Log P: 3.2820475
• Molar Refractivity: 104.4288 cm^3
• Polarizability: 37.394455 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: 4.39
• LOG S: -5.23
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3