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

• ChemBase ID: 653543
• Molecular Formular: C18H25N3O3S
• Molecular Mass: 363.4744
• Monoisotopic Mass: 363.16166268
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CC3CCC3)CCC2)CC1)c1cnccc1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)c1cccnc1)CC1CCC1
• InChI: InChI=1S/C18H25N3O3S/c22-17-18(7-3-10-20(17)13-15-4-1-5-15)8-11-21(14-18)25(23,24)16-6-2-9-19-12-16/h2,6,9,12,15H,1,3-5,7-8,10-11,13-14H2
• InChIKey: VXDYNDBNSOOIQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-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): 0.9859952
• LogD (pH = 7.4): 0.9860111
• Log P: 0.98601127
• Molar Refractivity: 95.0083 cm^3
• Polarizability: 37.7016 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: 2.0
• LOG S: -3.56
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 3