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

• ChemBase ID: 351796
• Molecular Formular: C17H25N3O4S
• Molecular Mass: 367.4631
• Monoisotopic Mass: 367.1565773
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCCOC)CCC2)CC1)c1cnccc1
• Canonical SMILES: COCCCN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C17H25N3O4S/c1-24-12-4-10-19-9-3-6-17(16(19)21)7-11-20(14-17)25(22,23)15-5-2-8-18-13-15/h2,5,8,13H,3-4,6-7,9-12,14H2,1H3
• InChIKey: XKGHVIXFTFPFME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.22616595
• LogD (pH = 7.4): -0.22615063
• Log P: -0.22615044
• Molar Refractivity: 94.3742 cm^3
• Polarizability: 37.309906 Å^3
• Polar Surface Area: 79.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.76
• LOG S: -2.53
• Polar Surface Area: 79.81 Å^2
• Rotatable Bonds: 5