(8S)-8-methyl-8-(propan-2-yl)-hexahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one

• ChemBase ID: 185336
• Molecular Formular: C10H18N2OS
• Molecular Mass: 214.32772
• Monoisotopic Mass: 214.11398421
• SMILES: C12N(C(=O)CS2)CCN[C@]1(C(C)C)C
• Canonical SMILES: O=C1CSC2N1CCN[C@@]2(C)C(C)C
• InChI: InChI=1S/C10H18N2OS/c1-7(2)10(3)9-12(5-4-11-10)8(13)6-14-9/h7,9,11H,4-6H2,1-3H3/t9?,10-/m0/s1
• InChIKey: CZSMWQDPULTUSB-AXDSSHIGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8S)-8-methyl-8-(propan-2-yl)-hexahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one
• IUPAC Traditional name: (8S)-8-isopropyl-8-methyl-tetrahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one

Database IDs

• PubChem SID: 164241246
• PubChem CID: 16396258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4362208
• LogD (pH = 7.4): 0.27910495
• Log P: 0.84567124
• Molar Refractivity: 58.5571 cm^3
• Polarizability: 23.498127 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds