N-benzyl-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide

• ChemBase ID: 724895
• Molecular Formular: C16H22N4O4S
• Molecular Mass: 366.43528
• Monoisotopic Mass: 366.1361762
• SMILES: N1C(=O)N(C2(C1=O)CCN(S(=O)(=O)NCc1ccccc1)CC2)CC
• Canonical SMILES: CCN1C(=O)NC(=O)C21CCN(CC2)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C16H22N4O4S/c1-2-20-15(22)18-14(21)16(20)8-10-19(11-9-16)25(23,24)17-12-13-6-4-3-5-7-13/h3-7,17H,2,8-12H2,1H3,(H,18,21,22)
• InChIKey: GPFLJJZVAKFTDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
• IUPAC Traditional name: N-benzyl-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
• Synonyms: N-benzyl-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.823727
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.40077594
• LogD (pH = 7.4): -0.40235966
• Log P: -0.40075523
• Molar Refractivity: 92.3385 cm^3
• Polarizability: 36.614357 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.34
• LOG S: -3.47
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3