N-(2-{1-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)cyclopropanesulfonamide

• ChemBase ID: 615004
• Molecular Formular: C15H23N3O3S
• Molecular Mass: 325.42642
• Monoisotopic Mass: 325.14601261
• SMILES: S(=O)(=O)(C1CC1)NCCC1=CCCN(Cc2noc(c2)C)C1
• Canonical SMILES: Cc1onc(c1)CN1CCC=C(C1)CCNS(=O)(=O)C1CC1
• InChI: InChI=1S/C15H23N3O3S/c1-12-9-14(17-21-12)11-18-8-2-3-13(10-18)6-7-16-22(19,20)15-4-5-15/h3,9,15-16H,2,4-8,10-11H2,1H3
• InChIKey: XLZRLNDWJKWQAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)cyclopropanesulfonamide
• IUPAC Traditional name: N-(2-{1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6-dihydro-2H-pyridin-3-yl}ethyl)cyclopropanesulfonamide
• Synonyms: N-(2-{1-[(5-methylisoxazol-3-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.566227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.59895754
• LogD (pH = 7.4): 0.3822801
• Log P: 0.43277103
• Molar Refractivity: 86.7476 cm^3
• Polarizability: 33.50702 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.44
• LOG S: -0.94
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6