2-amino-N-cyclopropylethane-1-sulfonamide hydrochloride

• ChemBase ID: 255783
• Molecular Formular: C5H13ClN2O2S
• Molecular Mass: 200.68692
• Monoisotopic Mass: 200.03862635
• SMILES: S(=O)(=O)(NC1CC1)CCN.Cl
• Canonical SMILES: NCCS(=O)(=O)NC1CC1.Cl
• InChI: InChI=1S/C5H12N2O2S.ClH/c6-3-4-10(8,9)7-5-1-2-5;/h5,7H,1-4,6H2;1H
• InChIKey: KLILWAJRDKCFOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropylethane-1-sulfonamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopropylethanesulfonamide hydrochloride
• Synonyms: 2-amino-N-cyclopropylethanesulfonamide hydrochloride

Database IDs

• MDL Number: MFCD10666942
• PubChem SID: 164311693
• PubChem CID: 43810602

CALCULATED PROPERTIES

• Acid pKa: 11.950393
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1797647
• LogD (pH = 7.4): -2.5733218
• Log P: -1.4908035
• Molar Refractivity: 38.2484 cm^3
• Polarizability: 16.10821 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.822

Product Information

• Purity: 95%