1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(methanesulfonylmethyl)piperidine

• ChemBase ID: 828996
• Molecular Formular: C12H19N3O3S
• Molecular Mass: 285.36256
• Monoisotopic Mass: 285.11471248
• SMILES: c1(oc(nn1)C1CC1)N1CC(CS(=O)(=O)C)CCC1
• Canonical SMILES: CS(=O)(=O)CC1CCCN(C1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C12H19N3O3S/c1-19(16,17)8-9-3-2-6-15(7-9)12-14-13-11(18-12)10-4-5-10/h9-10H,2-8H2,1H3
• InChIKey: VMIFYWVSYXADFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(methanesulfonylmethyl)piperidine
• IUPAC Traditional name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(methanesulfonylmethyl)piperidine
• Synonyms: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-[(methylsulfonyl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.16014834
• LogD (pH = 7.4): -0.16014804
• Log P: -0.16014802
• Molar Refractivity: 73.3576 cm^3
• Polarizability: 27.737919 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.31
• LOG S: -2.06
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4