1-(cyclopropanesulfonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 236538
• Molecular Formular: C8H17ClN2O2S
• Molecular Mass: 240.75078
• Monoisotopic Mass: 240.06992647
• SMILES: S(=O)(=O)(N1CCC(CC1)N)C1CC1.Cl
• Canonical SMILES: NC1CCN(CC1)S(=O)(=O)C1CC1.Cl
• InChI: InChI=1S/C8H16N2O2S.ClH/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8;/h7-8H,1-6,9H2;1H
• InChIKey: PTFJUUCTOVLAEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropanesulfonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(cyclopropanesulfonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(cyclopropanesulfonyl)piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD08690154
• PubChem SID: 164292448
• PubChem CID: 60145909

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1245346
• LogD (pH = 7.4): -3.554211
• Log P: -1.1067766
• Molar Refractivity: 50.7009 cm^3
• Polarizability: 20.880922 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): -0.822

Product Information

• Purity: 95%