8-butyl-8-methyl-hexahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one hydrochloride

• ChemBase ID: 183133
• Molecular Formular: C11H21ClN2OS
• Molecular Mass: 264.81524
• Monoisotopic Mass: 264.10631198
• SMILES: N12C(SCC1=O)C(NCC2)(CCCC)C.Cl
• Canonical SMILES: CCCCC1(C)NCCN2C1SCC2=O.Cl
• InChI: InChI=1S/C11H20N2OS.ClH/c1-3-4-5-11(2)10-13(7-6-12-11)9(14)8-15-10;/h10,12H,3-8H2,1-2H3;1H
• InChIKey: HPZIOWCACZIAHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-butyl-8-methyl-hexahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one hydrochloride
• IUPAC Traditional name: 8-butyl-8-methyl-tetrahydro-2H-[1,3]thiazolo[3,2-a]piperazin-3-one hydrochloride

Database IDs

• PubChem SID: 164239043
• PubChem CID: 2835295

CALCULATED PROPERTIES

• Log P: 1.3698357
• Molar Refractivity: 63.2875 cm^3
• Polarizability: 25.33824 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.79285246
• LogD (pH = 7.4): 0.89558

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds