6-amino-N-cyclopropylpyridine-3-sulfonamide

• ChemBase ID: 277301
• Molecular Formular: C8H11N3O2S
• Molecular Mass: 213.25684
• Monoisotopic Mass: 213.05719761
• SMILES: S(=O)(=O)(c1cnc(cc1)N)NC1CC1
• Canonical SMILES: Nc1ccc(cn1)S(=O)(=O)NC1CC1
• InChI: InChI=1S/C8H11N3O2S/c9-8-4-3-7(5-10-8)14(12,13)11-6-1-2-6/h3-6,11H,1-2H2,(H2,9,10)
• InChIKey: RYDRKBXRQXIMTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-cyclopropylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-N-cyclopropylpyridine-3-sulfonamide
• Synonyms: 6-amino-N-cyclopropylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD16688535
• PubChem SID: 164333211
• PubChem CID: 54594596

CALCULATED PROPERTIES

• Acid pKa: 10.249955
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.18428476
• LogD (pH = 7.4): -0.18417515
• Log P: -0.18362366
• Molar Refractivity: 53.1808 cm^3
• Polarizability: 20.704561 Å^3
• Polar Surface Area: 85.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.807

Product Information

• Purity: 95%