1-(2-methylpropanesulfonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 247632
• Molecular Formular: C9H21ClN2O2S
• Molecular Mass: 256.79324
• Monoisotopic Mass: 256.1012266
• SMILES: S(=O)(=O)(N1CCC(CC1)N)CC(C)C.Cl
• Canonical SMILES: CC(CS(=O)(=O)N1CCC(CC1)N)C.Cl
• InChI: InChI=1S/C9H20N2O2S.ClH/c1-8(2)7-14(12,13)11-5-3-9(10)4-6-11;/h8-9H,3-7,10H2,1-2H3;1H
• InChIKey: DBOAWZFNNLBTAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropanesulfonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(2-methylpropanesulfonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(2-methylpropanesulfonyl)piperidin-4-amine hydrochloride

Database IDs

• PubChem SID: 164303542
• PubChem CID: 71758266

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4979854
• LogD (pH = 7.4): -2.9276614
• Log P: -0.4802272
• Molar Refractivity: 57.1101 cm^3
• Polarizability: 23.431305 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.051

Product Information

• Purity: 95%