(1-methanesulfonylpiperidin-4-yl)methanamine hydrochloride

• ChemBase ID: 243191
• Molecular Formular: C7H17ClN2O2S
• Molecular Mass: 228.74008
• Monoisotopic Mass: 228.06992647
• SMILES: S(=O)(=O)(N1CCC(CC1)CN)C.Cl
• Canonical SMILES: NCC1CCN(CC1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H
• InChIKey: NZFSEJDFGLXOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methanesulfonylpiperidin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-methanesulfonylpiperidin-4-yl)methanamine hydrochloride
• Synonyms: (1-methanesulfonylpiperidin-4-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18378123
• PubChem SID: 164299101
• PubChem CID: 53256363

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.431683
• LogD (pH = 7.4): -3.8191712
• Log P: -1.4161189
• Molar Refractivity: 48.0601 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.787

Product Information

• Purity: 95%