hexahydrospiro[[1,3]thiazolo[3,2-a]pyridine-8,1'-cyclohexane]-3-one

• ChemBase ID: 183610
• Molecular Formular: C12H19NOS
• Molecular Mass: 225.35036
• Monoisotopic Mass: 225.11873523
• SMILES: N12C(SCC1=O)C1(CCC2)CCCCC1
• Canonical SMILES: O=C1CSC2N1CCCC12CCCCC1
• InChI: InChI=1S/C12H19NOS/c14-10-9-15-11-12(5-2-1-3-6-12)7-4-8-13(10)11/h11H,1-9H2
• InChIKey: ISJMFHPGCYLYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydrospiro[[1,3]thiazolo[3,2-a]pyridine-8,1'-cyclohexane]-3-one
• IUPAC Traditional name: tetrahydro-2H-spiro[[1,3]thiazolo[3,2-a]pyridine-8,1'-cyclohexane]-3-one

Database IDs

• PubChem SID: 164239520
• PubChem CID: 3828170

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2602725
• LogD (pH = 7.4): 2.2602725
• Log P: 2.2602725
• Molar Refractivity: 62.7616 cm^3
• Polarizability: 24.923777 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds