6-amino-N,N-dimethylpyridine-3-sulfonamide

• ChemBase ID: 114787
• Molecular Formular: C7H11N3O2S
• Molecular Mass: 201.24614
• Monoisotopic Mass: 201.05719761
• SMILES: S(=O)(=O)(c1cnc(cc1)N)N(C)C
• Canonical SMILES: Nc1ccc(cn1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C7H11N3O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3,(H2,8,9)
• InChIKey: OLFVKJUZBCQROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N,N-dimethylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-N,N-dimethylpyridine-3-sulfonamide
• Synonyms: 6-Amino-pyridine-3-sulfonic acid dimethylamide; 6-amino-N,N-dimethylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD06307521
• PubChem SID: 162100061
• PubChem CID: 5267643

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.42615652
• LogD (pH = 7.4): -0.42552024
• Log P: -0.42551214
• Molar Refractivity: 50.8663 cm^3
• Polarizability: 19.588188 Å^3
• Polar Surface Area: 76.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Partition Coefficient: -0.848
• Hydrophobicity(logP): -0.267

Product Information

• Purity: 95%; 95+%