N-(1-cycloheptylpiperidin-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

• ChemBase ID: 522382
• Molecular Formular: C17H29N3O3S
• Molecular Mass: 355.49546
• Monoisotopic Mass: 355.1929628
• SMILES: S(=O)(=O)(c1c(onc1C)C)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: Cc1onc(c1S(=O)(=O)NC1CCCN(C1)C1CCCCCC1)C
• InChI: InChI=1S/C17H29N3O3S/c1-13-17(14(2)23-18-13)24(21,22)19-15-8-7-11-20(12-15)16-9-5-3-4-6-10-16/h15-16,19H,3-12H2,1-2H3
• InChIKey: IEUOWOVFXYNBMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-3,5-dimethyl-4-isoxazolesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.572161
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4671356
• LogD (pH = 7.4): 1.2745247
• Log P: 1.6549382
• Molar Refractivity: 95.1413 cm^3
• Polarizability: 37.321888 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.02
• LOG S: -3.36
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3