CAS 956576-78-6

2-Ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]piperidine

Description:

2-Ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]piperidine is a chemical compound characterized by its unique structure, which includes a piperidine ring substituted with an ethyl group and a sulfonyl moiety linked to a phenyl ring that carries an isothiocyanate functional group. This compound is typically classified as an organic sulfonamide and may exhibit properties such as moderate solubility in organic solvents, depending on the specific conditions. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic addition reactions, making it of interest in medicinal chemistry and material science. Additionally, the sulfonyl group can enhance the compound's stability and influence its biological activity. As with many chemical substances, safety precautions should be observed when handling this compound, as isothiocyanates can be irritants. Overall, 2-Ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]piperidine represents a versatile structure with potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₄H₁₈N₂O₂S₂

InChI: InChI=1S/C14H18N2O2S2/c1-2-13-5-3-4-10-16(13)20(17,18)14-8-6-12(7-9-14)15-11-19/h6-9,13H,2-5,10H2,1H3

InChI key: InChIKey=BBEKMHRPEGEBBA-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1C(CC)CCCC1)C2=CC=C(N=C=S)C=C2

Synonyms:

• 2-Ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]piperidine
• Piperidine, 2-ethyl-1-[(4-isothiocyanatophenyl)sulfonyl]-