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

• ChemBase ID: 252539
• Molecular Formular: C10H17ClN2O2S2
• Molecular Mass: 296.83718
• Monoisotopic Mass: 296.04199747
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N1CCCCC1.Cl
• Canonical SMILES: NCc1ccc(s1)S(=O)(=O)N1CCCCC1.Cl
• InChI: InChI=1S/C10H16N2O2S2.ClH/c11-8-9-4-5-10(15-9)16(13,14)12-6-2-1-3-7-12;/h4-5H,1-3,6-8,11H2;1H
• InChIKey: RINJHLBPRSFJGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09285232
• PubChem SID: 164308449
• PubChem CID: 16344811

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2992983
• LogD (pH = 7.4): 0.39498726
• Log P: 1.0816406
• Molar Refractivity: 64.6745 cm^3
• Polarizability: 26.17431 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.203

Product Information

• Purity: 95%
• Salt Data: HCl