CAS 1207754-86-6

1-[(4-Methylphenyl)sulfonyl]-6-thia-1-azaspiro[2.5]octane

Description:

1-[(4-Methylphenyl)sulfonyl]-6-thia-1-azaspiro[2.5]octane is a chemical compound characterized by its unique spirocyclic structure, which includes a nitrogen atom and a sulfur atom within its framework. The presence of the sulfonyl group (–SO2–) attached to a 4-methylphenyl moiety contributes to its potential reactivity and solubility properties. This compound belongs to a class of molecules that may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its spiro structure can influence the conformational flexibility and steric interactions, which are critical for its biological function. The compound's molecular interactions may be further influenced by the presence of the methyl group on the phenyl ring, potentially affecting its lipophilicity and binding affinity to biological targets. Overall, 1-[(4-Methylphenyl)sulfonyl]-6-thia-1-azaspiro[2.5]octane represents a complex organic molecule with potential applications in pharmaceuticals, although specific biological activities and properties would require further investigation through experimental studies.

Formula: C₁₃H₁₇NO₂S₂

InChI: InChI=1S/C13H17NO2S2/c1-11-2-4-12(5-3-11)18(15,16)14-10-13(14)6-8-17-9-7-13/h2-5H,6-10H2,1H3

InChI key: InChIKey=JDOFJCKCMSXDHC-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1C2(C1)CCSCC2)C3=CC=C(C)C=C3

Synonyms:

• 2-(p-Tolylsulfonyl)-6-thia-2-azaspiro[2.5]octane
• 6-Thia-1-azaspiro[2.5]octane, 1-[(4-methylphenyl)sulfonyl]-
• 1-[(4-Methylphenyl)sulfonyl]-6-thia-1-azaspiro[2.5]octane