1-(benzenesulfonyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

• ChemBase ID: 359278
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: S(=O)(=O)(N1CCC(Nc2oc(nn2)CCC)CC1)c1ccccc1
• Canonical SMILES: CCCc1nnc(o1)NC1CCN(CC1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C16H22N4O3S/c1-2-6-15-18-19-16(23-15)17-13-9-11-20(12-10-13)24(21,22)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,17,19)
• InChIKey: YEMVQRWDRGCECC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzenesulfonyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(benzenesulfonyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• Synonyms: 1-(phenylsulfonyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.399488
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2431471
• LogD (pH = 7.4): 1.243107
• Log P: 1.2431483
• Molar Refractivity: 93.7916 cm^3
• Polarizability: 35.424183 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.44
• LOG S: -3.84
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5