(2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride

• ChemBase ID: 247356
• Molecular Formular: C6H15ClN2O2S
• Molecular Mass: 214.7135
• Monoisotopic Mass: 214.05427641
• SMILES: S(=O)(=O)(N1[C@H](CNCC1)C)C.Cl
• Canonical SMILES: C[C@H]1CNCCN1S(=O)(=O)C.Cl
• InChI: InChI=1S/C6H14N2O2S.ClH/c1-6-5-7-3-4-8(6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H/t6-;/m0./s1
• InChIKey: ISTPJJDMCAZLOO-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride
• IUPAC Traditional name: (2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride
• Synonyms: (2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride

Database IDs

• PubChem SID: 164303266
• PubChem CID: 66617740

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0265615
• LogD (pH = 7.4): -1.4742038
• Log P: -1.2072507
• Molar Refractivity: 43.0345 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%