1-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-methanesulfonylpiperazine

• ChemBase ID: 732833
• Molecular Formular: C9H16N4O3S
• Molecular Mass: 260.31334
• Monoisotopic Mass: 260.09431139
• SMILES: S(=O)(=O)(N1CCN(c2oc(nn2)CC)CC1)C
• Canonical SMILES: CCc1nnc(o1)N1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C9H16N4O3S/c1-3-8-10-11-9(16-8)12-4-6-13(7-5-12)17(2,14)15/h3-7H2,1-2H3
• InChIKey: SGRULOCKWDPYPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-methanesulfonylpiperazine
• IUPAC Traditional name: 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-methanesulfonylpiperazine
• Synonyms: 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(methylsulfonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8603677
• LogD (pH = 7.4): -0.8603673
• Log P: -0.8603673
• Molar Refractivity: 63.8754 cm^3
• Polarizability: 24.145771 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.75
• LOG S: -2.34
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 2