CAS 956576-69-5

1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine

Description:

1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine is a chemical compound characterized by its unique structure, which includes a piperidine ring substituted with both isothiocyanate and sulfonyl groups. This compound typically exhibits properties associated with both the piperidine moiety and the functional groups attached to it. The isothiocyanate group is known for its reactivity, particularly in forming thioureas and participating in nucleophilic reactions, while the sulfonyl group can enhance solubility and stability. The presence of the dimethyl groups on the piperidine ring may influence the compound's steric and electronic properties, potentially affecting its biological activity and reactivity. This compound may be of interest in medicinal chemistry and materials science due to its potential applications in drug development and as a building block for more complex molecules. As with many chemical substances, safety and handling precautions should be observed, given the reactivity of the isothiocyanate functional group.

Formula: C₁₄H₁₈N₂O₂S₂

InChI: InChI=1S/C14H18N2O2S2/c1-11-7-12(2)9-16(8-11)20(17,18)14-5-3-13(4-6-14)15-10-19/h3-6,11-12H,7-9H2,1-2H3

InChI key: InChIKey=QICQGBDHPDLART-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1CC(C)CC(C)C1)C2=CC=C(N=C=S)C=C2

Synonyms:

• Piperidine, 1-[(4-isothiocyanatophenyl)sulfonyl]-3,5-dimethyl-
• 1-[(4-Isothiocyanatophenyl)sulfonyl]-3,5-dimethylpiperidine