(8aR)-7-cyclopentyl-hexahydro-1H-[1,3]thiazolo[3,4-a]piperazine-5,8-dione

• ChemBase ID: 209454
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: N12[C@H](C(=O)N(CC1=O)C1CCCC1)CSC2
• Canonical SMILES: O=C1N(CC(=O)N2[C@H]1CSC2)C1CCCC1
• InChI: InChI=1S/C11H16N2O2S/c14-10-5-12(8-3-1-2-4-8)11(15)9-6-16-7-13(9)10/h8-9H,1-7H2/t9-/m0/s1
• InChIKey: ILUSXBBJRDUWCL-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8aR)-7-cyclopentyl-hexahydro-1H-[1,3]thiazolo[3,4-a]piperazine-5,8-dione
• IUPAC Traditional name: (8aR)-7-cyclopentyl-tetrahydro-[1,3]thiazolo[3,4-a]piperazine-5,8-dione

Database IDs

• PubChem SID: 164265364
• PubChem CID: 7003158

CALCULATED PROPERTIES

• Acid pKa: 17.829771
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.06964512
• LogD (pH = 7.4): 0.06964512
• Log P: 0.06964512
• Molar Refractivity: 61.8597 cm^3
• Polarizability: 24.331097 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds