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

• ChemBase ID: 845334
• Molecular Formular: C20H29N3O3S
• Molecular Mass: 391.52756
• Monoisotopic Mass: 391.1929628
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CC3CCCCC3)CCC2)CC1)c1cnccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)c1cccnc1)CC1CCCCC1
• InChI: InChI=1S/C20H29N3O3S/c24-19-20(9-5-12-22(19)15-17-6-2-1-3-7-17)10-13-23(16-20)27(25,26)18-8-4-11-21-14-18/h4,8,11,14,17H,1-3,5-7,9-10,12-13,15-16H2
• InChIKey: QMRAVVWOZYANML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8751324
• LogD (pH = 7.4): 1.8751484
• Log P: 1.8751487
• Molar Refractivity: 104.2103 cm^3
• Polarizability: 41.372433 Å^3
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.13
• LOG S: -4.73
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 3