8-(cyclopropanesulfonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 552282
• Molecular Formular: C20H28N2O3S
• Molecular Mass: 376.51292
• Monoisotopic Mass: 376.18206377
• SMILES: S(=O)(=O)(N1CC2(CN(C(=O)CC2)CCc2ccccc2)CCC1)C1CC1
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccc1)CCCN(C2)S(=O)(=O)C1CC1
• InChI: InChI=1S/C20H28N2O3S/c23-19-9-12-20(15-21(19)14-10-17-5-2-1-3-6-17)11-4-13-22(16-20)26(24,25)18-7-8-18/h1-3,5-6,18H,4,7-16H2
• InChIKey: MAUUKXQOJRCDNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclopropanesulfonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(cyclopropanesulfonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(cyclopropylsulfonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7356305
• LogD (pH = 7.4): 1.7356308
• Log P: 1.7356308
• Molar Refractivity: 101.6948 cm^3
• Polarizability: 40.44977 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.71
• LOG S: -4.26
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 4