[benzyl(methyl)sulfamoyl][1-(dimethyl-1,3-thiazol-4-yl)ethyl]methylamine

• ChemBase ID: 453531
• Molecular Formular: C16H23N3O2S2
• Molecular Mass: 353.50272
• Monoisotopic Mass: 353.12316899
• SMILES: S(=O)(=O)(N(C(c1nc(sc1C)C)C)C)N(Cc1ccccc1)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(S(=O)(=O)N(Cc1ccccc1)C)C)C
• InChI: InChI=1S/C16H23N3O2S2/c1-12(16-13(2)22-14(3)17-16)19(5)23(20,21)18(4)11-15-9-7-6-8-10-15/h6-10,12H,11H2,1-5H3
• InChIKey: GKLXBRDTJKLJSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [benzyl(methyl)sulfamoyl][1-(dimethyl-1,3-thiazol-4-yl)ethyl]methylamine
• IUPAC Traditional name: [benzyl(methyl)sulfamoyl][1-(dimethyl-1,3-thiazol-4-yl)ethyl]methylamine
• Synonyms: N-benzyl-N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N'-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4271548
• LogD (pH = 7.4): 2.4302614
• Log P: 2.430301
• Molar Refractivity: 94.3307 cm^3
• Polarizability: 37.26936 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -3.52
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4