4-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-4-oxobutane-1-sulfonamide

• ChemBase ID: 827267
• Molecular Formular: C13H23N3O4S
• Molecular Mass: 317.40442
• Monoisotopic Mass: 317.14092723
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)CCCS(=O)(=O)N)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CCCS(=O)(=O)N
• InChI: InChI=1S/C13H23N3O4S/c1-15-7-3-5-13(12(15)18)6-8-16(10-13)11(17)4-2-9-21(14,19)20/h2-10H2,1H3,(H2,14,19,20)
• InChIKey: CTQHUJDZHJZODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-4-oxobutane-1-sulfonamide
• IUPAC Traditional name: 4-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-4-oxobutane-1-sulfonamide
• Synonyms: 4-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-4-oxobutane-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7870852
• LogD (pH = 7.4): -1.7871038
• Log P: -1.7870845
• Molar Refractivity: 77.9582 cm^3
• Polarizability: 31.065998 Å^3
• Polar Surface Area: 100.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.18
• LOG S: -1.82
• Polar Surface Area: 100.78 Å^2
• Rotatable Bonds: 4