1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-sulfonamide

• ChemBase ID: 789024
• Molecular Formular: C10H20N4O3S
• Molecular Mass: 276.3558
• Monoisotopic Mass: 276.12561152
• SMILES: S(=O)(=O)(N1CC2(N(CC1)C)CCC(=O)NCC2)N
• Canonical SMILES: O=C1NCCC2(CC1)CN(CCN2C)S(=O)(=O)N
• InChI: InChI=1S/C10H20N4O3S/c1-13-6-7-14(18(11,16)17)8-10(13)3-2-9(15)12-5-4-10/h2-8H2,1H3,(H,12,15)(H2,11,16,17)
• InChIKey: HNEKZLRSPGTLGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-sulfonamide
• IUPAC Traditional name: 1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-sulfonamide
• Synonyms: 1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.026121
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.2238436
• LogD (pH = 7.4): -2.6681898
• Log P: -2.404471
• Molar Refractivity: 67.3992 cm^3
• Polarizability: 27.351442 Å^3
• Polar Surface Area: 95.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -2.55
• LOG S: -0.35
• Polar Surface Area: 95.74 Å^2
• Rotatable Bonds: 0