2-methanesulfonyl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 727407
• Molecular Formular: C15H21N3O3S
• Molecular Mass: 323.41054
• Monoisotopic Mass: 323.13036255
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(Cc3cnccc3)CCC2)CC1)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)C)Cc1cccnc1
• InChI: InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-6-15(12-18)5-3-8-17(14(15)19)11-13-4-2-7-16-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3
• InChIKey: VQQFMTGFDUBWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonyl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-methanesulfonyl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(methylsulfonyl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.70146215
• LogD (pH = 7.4): -0.6301973
• Log P: -0.62918764
• Molar Refractivity: 82.9289 cm^3
• Polarizability: 32.949192 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: 0.05
• LOG S: -1.61
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 2