N-[(1R,3R)-3-aminocyclopentyl]-3-sulfamoylthiophene-2-carboxamide

• ChemBase ID: 849789
• Molecular Formular: C10H15N3O3S2
• Molecular Mass: 289.3744
• Monoisotopic Mass: 289.05548336
• SMILES: c1(c(C(=O)N[C@H]2C[C@H](N)CC2)scc1)S(=O)(=O)N
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1sccc1S(=O)(=O)N
• InChI: InChI=1S/C10H15N3O3S2/c11-6-1-2-7(5-6)13-10(14)9-8(3-4-17-9)18(12,15)16/h3-4,6-7H,1-2,5,11H2,(H,13,14)(H2,12,15,16)/t6-,7-/m1/s1
• InChIKey: WWPXRZFPTMOYAO-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-sulfamoylthiophene-2-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-sulfamoylthiophene-2-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3-(aminosulfonyl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.941183
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.64462
• LogD (pH = 7.4): -2.8184495
• Log P: -1.5985094
• Molar Refractivity: 68.7775 cm^3
• Polarizability: 27.272066 Å^3
• Polar Surface Area: 115.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.39
• LOG S: -1.43
• Polar Surface Area: 115.28 Å^2
• Rotatable Bonds: 3