N,N-dimethyl-3-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propane-1-sulfonamide

• ChemBase ID: 509117
• Molecular Formular: C13H25N3O3S
• Molecular Mass: 303.4209
• Monoisotopic Mass: 303.16166268
• SMILES: S(=O)(=O)(N(C)C)CCCN1CC2(C(=O)NCCC2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)CCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C13H25N3O3S/c1-15(2)20(18,19)10-4-8-16-9-6-13(11-16)5-3-7-14-12(13)17/h3-11H2,1-2H3,(H,14,17)
• InChIKey: VMRPFUAJAZZAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propane-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-3-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}propane-1-sulfonamide
• Synonyms: N,N-dimethyl-3-(6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-1-propanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.935447
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.4146137
• LogD (pH = 7.4): -2.9203196
• Log P: -1.128871
• Molar Refractivity: 78.5848 cm^3
• Polarizability: 31.310177 Å^3
• Polar Surface Area: 69.72 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: -0.53
• LOG S: -2.27
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4