(benzylsulfamoyl)(methyl)[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine

• ChemBase ID: 317196
• Molecular Formular: C12H16N4O2S2
• Molecular Mass: 312.41104
• Monoisotopic Mass: 312.07146777
• SMILES: S(=O)(=O)(N(Cc1c(nns1)C)C)NCc1ccccc1
• Canonical SMILES: Cc1nnsc1CN(S(=O)(=O)NCc1ccccc1)C
• InChI: InChI=1S/C12H16N4O2S2/c1-10-12(19-15-14-10)9-16(2)20(17,18)13-8-11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3
• InChIKey: LIOZJNDWKQUWRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)(methyl)[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)(methyl)[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]amine
• Synonyms: N'-benzyl-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.645211
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9812141
• LogD (pH = 7.4): 0.980999
• Log P: 0.98121774
• Molar Refractivity: 79.4305 cm^3
• Polarizability: 31.024876 Å^3
• Polar Surface Area: 75.19 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: 1.42
• LOG S: -2.69
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 4