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

• ChemBase ID: 580320
• Molecular Formular: C16H23N3O3S
• Molecular Mass: 337.43712
• Monoisotopic Mass: 337.14601261
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC2)CCC)CC1)c1cnccc1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C16H23N3O3S/c1-2-9-18-10-4-6-16(15(18)20)7-11-19(13-16)23(21,22)14-5-3-8-17-12-14/h3,5,8,12H,2,4,6-7,9-11,13H2,1H3
• InChIKey: KWFIXHZWCIATQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-propyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-propyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-propyl-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): 0.6401802
• LogD (pH = 7.4): 0.6401955
• Log P: 0.64019567
• Molar Refractivity: 87.7379 cm^3
• Polarizability: 34.75177 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: 1.6
• LOG S: -3.03
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 3