[({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)sulfamoyl]dimethylamine

• ChemBase ID: 636204
• Molecular Formular: C15H27N5O2S
• Molecular Mass: 341.47218
• Monoisotopic Mass: 341.18854613
• SMILES: S(=O)(=O)(NCc1nn2c(c1)CN(CC2)C1CCCCC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1)C
• InChI: InChI=1S/C15H27N5O2S/c1-18(2)23(21,22)16-11-13-10-15-12-19(8-9-20(15)17-13)14-6-4-3-5-7-14/h10,14,16H,3-9,11-12H2,1-2H3
• InChIKey: JAGOIAUKSOVHRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)sulfamoyl]dimethylamine
• IUPAC Traditional name: [({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)sulfamoyl]dimethylamine
• Synonyms: N'-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-N,N-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.431347
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.790786
• LogD (pH = 7.4): -0.08227811
• Log P: 0.40267283
• Molar Refractivity: 101.9909 cm^3
• Polarizability: 36.07731 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.19
• LOG S: -2.15
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3