[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine hydrochloride

• ChemBase ID: 255329
• Molecular Formular: C9H15ClN2O2S2
• Molecular Mass: 282.8106
• Monoisotopic Mass: 282.02634741
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N1CCCC1.Cl
• Canonical SMILES: NCc1ccc(s1)S(=O)(=O)N1CCCC1.Cl
• InChI: InChI=1S/C9H14N2O2S2.ClH/c10-7-8-3-4-9(14-8)15(12,13)11-5-1-2-6-11;/h3-4H,1-2,5-7,10H2;1H
• InChIKey: KBGSDKNHNJYEIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine hydrochloride
• IUPAC Traditional name: [5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine hydrochloride
• Synonyms: [5-(pyrrolidin-1-ylsulfonyl)thien-2-yl]methylamine hydrochloride

Database IDs

• MDL Number: MFCD09971536
• PubChem SID: 164311239
• PubChem CID: 42927934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7438668
• LogD (pH = 7.4): -0.04958126
• Log P: 0.63707197
• Molar Refractivity: 60.0735 cm^3
• Polarizability: 24.344458 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.644

Product Information

• Purity: 95%