(3R)-3-(thiophen-2-yl)piperazin-2-one

• ChemBase ID: 808394
• Molecular Formular: C8H10N2OS
• Molecular Mass: 182.2428
• Monoisotopic Mass: 182.05138395
• SMILES: C1(=O)[C@@H](NCCN1)c1sccc1
• Canonical SMILES: O=C1NCCN[C@H]1c1cccs1
• InChI: InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)/t7-/m0/s1
• InChIKey: BBACKDMGYMXYLE-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(thiophen-2-yl)piperazin-2-one
• IUPAC Traditional name: (3R)-3-(thiophen-2-yl)piperazin-2-one
• Synonyms: (R)-3-THIOPHEN-2-YL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 13.8221655
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.25559852
• LogD (pH = 7.4): 0.36180893
• Log P: 0.37962413
• Molar Refractivity: 46.7757 cm^3
• Polarizability: 18.374338 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%