4-methanesulfonamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 764454
• Molecular Formular: C14H25N5O3S2
• Molecular Mass: 375.51
• Monoisotopic Mass: 375.13988169
• SMILES: c1(sc(nn1)CCCCC)NC(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: CCCCCc1nnc(s1)NC(=O)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C14H25N5O3S2/c1-3-4-5-6-12-16-17-13(23-12)15-14(20)19-9-7-11(8-10-19)18-24(2,21)22/h11,18H,3-10H2,1-2H3,(H,15,17,20)
• InChIKey: KWSFMUODZAFDMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methanesulfonamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-methanesulfonamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
• Synonyms: 4-[(methylsulfonyl)amino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.275232
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.46642068
• LogD (pH = 7.4): 0.4658811
• Log P: 0.46642867
• Molar Refractivity: 95.4928 cm^3
• Polarizability: 36.341755 Å^3
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.86
• LOG S: -2.67
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 6