N-cyclopropylpyrrolidine-3-sulfonamide hydrochloride

• ChemBase ID: 242173
• Molecular Formular: C7H15ClN2O2S
• Molecular Mass: 226.7242
• Monoisotopic Mass: 226.05427641
• SMILES: S(=O)(=O)(NC1CC1)C1CCNC1.Cl
• Canonical SMILES: O=S(=O)(C1CNCC1)NC1CC1.Cl
• InChI: InChI=1S/C7H14N2O2S.ClH/c10-12(11,9-6-1-2-6)7-3-4-8-5-7;/h6-9H,1-5H2;1H
• InChIKey: MQIMNLXWIBSENL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpyrrolidine-3-sulfonamide hydrochloride
• IUPAC Traditional name: N-cyclopropylpyrrolidine-3-sulfonamide hydrochloride
• Synonyms: N-cyclopropylpyrrolidine-3-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD22565992
• PubChem SID: 164298083
• PubChem CID: 71756953

CALCULATED PROPERTIES

• Acid pKa: 11.616297
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.141474
• LogD (pH = 7.4): -3.108216
• Log P: -0.95783204
• Molar Refractivity: 45.7134 cm^3
• Polarizability: 19.051203 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): -0.249

Product Information

• Purity: 95%