7-cyclohexyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 786323
• Molecular Formular: C19H27N3O3S
• Molecular Mass: 377.50098
• Monoisotopic Mass: 377.17731274
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C3CCCCC3)CCC2)CC1)c1cnccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)c1cccnc1)C1CCCCC1
• InChI: InChI=1S/C19H27N3O3S/c23-18-19(9-5-12-22(18)16-6-2-1-3-7-16)10-13-21(15-19)26(24,25)17-8-4-11-20-14-17/h4,8,11,14,16H,1-3,5-7,9-10,12-13,15H2
• InChIKey: ZIIDZSKYTVTXIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-(pyridin-3-ylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5601192
• LogD (pH = 7.4): 1.5601356
• Log P: 1.5601358
• Molar Refractivity: 99.4795 cm^3
• Polarizability: 39.536552 Å^3
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.6
• LOG S: -4.17
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 2