1-methanesulfonylpiperidin-3-amine hydrochloride

• ChemBase ID: 263704
• Molecular Formular: C6H15ClN2O2S
• Molecular Mass: 214.7135
• Monoisotopic Mass: 214.05427641
• SMILES: S(=O)(=O)(N1CC(N)CCC1)C.Cl
• Canonical SMILES: NC1CCCN(C1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-3-6(7)5-8;/h6H,2-5,7H2,1H3;1H
• InChIKey: MJAGCBBGJUYWPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonylpiperidin-3-amine hydrochloride
• IUPAC Traditional name: 1-methanesulfonylpiperidin-3-amine hydrochloride
• Synonyms: 1-methanesulfonylpiperidin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD13196156
• PubChem SID: 164319614
• PubChem CID: 45792405

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.39548
• LogD (pH = 7.4): -3.3725832
• Log P: -1.4193166
• Molar Refractivity: 43.0213 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): -0.362

Product Information

• Purity: 95%