1-(1,3-thiazolidine-4-carbonyl)piperidine

• ChemBase ID: 255718
• Molecular Formular: C9H16N2OS
• Molecular Mass: 200.30114
• Monoisotopic Mass: 200.09833414
• SMILES: C(=O)(N1CCCCC1)C1NCSC1
• Canonical SMILES: O=C(N1CCCCC1)C1CSCN1
• InChI: InChI=1S/C9H16N2OS/c12-9(8-6-13-7-10-8)11-4-2-1-3-5-11/h8,10H,1-7H2
• InChIKey: PVZCWPXBWHFGNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-thiazolidine-4-carbonyl)piperidine
• IUPAC Traditional name: 1-(1,3-thiazolidine-4-carbonyl)piperidine
• Synonyms: 1-(1,3-thiazolidin-4-ylcarbonyl)piperidine

Database IDs

• MDL Number: MFCD09946585
• PubChem SID: 164311628
• PubChem CID: 22366714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.421604
• LogD (pH = 7.4): 0.050000783
• Log P: 0.2540381
• Molar Refractivity: 54.5817 cm^3
• Polarizability: 21.654871 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.874

Product Information

• Purity: 95%