N-[2-(dimethylsulfamoyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 587368
• Molecular Formular: C10H14N6O3S
• Molecular Mass: 298.32156
• Monoisotopic Mass: 298.08480934
• SMILES: S(=O)(=O)(N(C)C)CCNC(=O)c1cc2n(nnn2)cc1
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)NCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C10H14N6O3S/c1-15(2)20(18,19)6-4-11-10(17)8-3-5-16-9(7-8)12-13-14-16/h3,5,7H,4,6H2,1-2H3,(H,11,17)
• InChIKey: CBFJJWWNWWSBRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylsulfamoyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(dimethylsulfamoyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-{2-[(dimethylamino)sulfonyl]ethyl}tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.44628
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2299843
• LogD (pH = 7.4): -1.2299845
• Log P: -1.2299842
• Molar Refractivity: 84.141 cm^3
• Polarizability: 27.249956 Å^3
• Polar Surface Area: 109.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.13
• LOG S: -1.72
• Polar Surface Area: 109.56 Å^2
• Rotatable Bonds: 4