7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 575985
• Molecular Formular: C13H20N4O3S
• Molecular Mass: 312.3879
• Monoisotopic Mass: 312.12561152
• SMILES: S(=O)(=O)(c1cn(nc1)C)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: Cn1ncc(c1)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C13H20N4O3S/c1-15-6-3-4-13(12(15)18)5-7-17(10-13)21(19,20)11-8-14-16(2)9-11/h8-9H,3-7,10H2,1-2H3
• InChIKey: WUONNROKHNEPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(1-methylpyrazol-4-ylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5936051
• LogD (pH = 7.4): -0.59360224
• Log P: -0.5936022
• Molar Refractivity: 89.5256 cm^3
• Polarizability: 30.608715 Å^3
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.02
• LOG S: -2.77
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 1