N-ethylpyrrolidine-3-sulfonamide

• ChemBase ID: 246390
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(C1CCNC1)NCC
• Canonical SMILES: CCNS(=O)(=O)C1CNCC1
• InChI: InChI=1S/C6H14N2O2S/c1-2-8-11(9,10)6-3-4-7-5-6/h6-8H,2-5H2,1H3
• InChIKey: QGFAOVYTLNLVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpyrrolidine-3-sulfonamide
• IUPAC Traditional name: N-ethylpyrrolidine-3-sulfonamide
• Synonyms: N-ethylpyrrolidine-3-sulfonamide

Database IDs

• MDL Number: MFCD21199033
• PubChem SID: 164302300
• PubChem CID: 65419394

CALCULATED PROPERTIES

• Acid pKa: 11.761688
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.250355
• LogD (pH = 7.4): -3.2178133
• Log P: -1.0665886
• Molar Refractivity: 43.2508 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.304

Product Information

• Purity: 95%