9-(cyclopropanesulfonyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 461091
• Molecular Formular: C20H30N2O2S
• Molecular Mass: 362.5294
• Monoisotopic Mass: 362.20279921
• SMILES: S(=O)(=O)(N1CCC2(CC(CN(C2)CC)c2ccccc2)CC1)C1CC1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)S(=O)(=O)C1CC1)c1ccccc1
• InChI: InChI=1S/C20H30N2O2S/c1-2-21-15-18(17-6-4-3-5-7-17)14-20(16-21)10-12-22(13-11-20)25(23,24)19-8-9-19/h3-7,18-19H,2,8-16H2,1H3
• InChIKey: HZBMKFHKYCCULQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropanesulfonyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 9-(cyclopropanesulfonyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane
• Synonyms: 9-(cyclopropylsulfonyl)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8573802
• LogD (pH = 7.4): 0.70537275
• Log P: 2.3740737
• Molar Refractivity: 102.1709 cm^3
• Polarizability: 40.680374 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.56
• LOG S: -3.88
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3