CAS 111032-36-1

1-[(4-Isothiocyanatophenyl)sulfonyl]-4-methylpiperidine

Description:

1-[(4-Isothiocyanatophenyl)sulfonyl]-4-methylpiperidine, identified by its CAS number 111032-36-1, is a chemical compound characterized by its unique functional groups and structural features. It contains a piperidine ring, which is a six-membered nitrogen-containing heterocycle, substituted at one position with a sulfonyl group and at another with an isothiocyanate group. The presence of the isothiocyanate functional group suggests potential reactivity, particularly in nucleophilic addition reactions, and it may exhibit biological activity, making it of interest in medicinal chemistry. The sulfonyl moiety can enhance solubility and stability, while also influencing the compound's interaction with biological targets. This compound may be utilized in various applications, including drug development and as a chemical probe in biological research. Its specific properties, such as solubility, melting point, and reactivity, would depend on the molecular environment and conditions under which it is studied. Overall, this compound represents a versatile structure with potential implications in both synthetic and applied chemistry.

Formula: C₁₃H₁₆N₂O₂S₂

InChI: InChI=1S/C13H16N2O2S2/c1-11-6-8-15(9-7-11)19(16,17)13-4-2-12(3-5-13)14-10-18/h2-5,11H,6-9H2,1H3

InChI key: InChIKey=WYECLMZMTKSUHR-UHFFFAOYSA-N

SMILES: S(=O)(=O)(C1=CC=C(N=C=S)C=C1)N2CCC(C)CC2

Synonyms:

• Isothiocyanic acid, p-(4-methylpiperidinosulfonyl)phenyl ester
• Piperidine, 1-[(4-isothiocyanatophenyl)sulfonyl]-4-methyl-
• 1-[(4-Isothiocyanatophenyl)sulfonyl]-4-methylpiperidine
• 1-(4-Isothiocyanato-benzenesulfonyl)-4-methyl-piperidine