CAS 1353980-14-9

1,1-Dimethylethyl N-[4-[(2-aminoethyl)thio]cyclohexyl]carbamate

Description:

1,1-Dimethylethyl N-[4-[(2-aminoethyl)thio]cyclohexyl]carbamate, identified by its CAS number 1353980-14-9, is a chemical compound that features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. This compound contains a dimethyl group, indicating the presence of two methyl groups attached to a tertiary carbon, contributing to its steric bulk. The cyclohexyl moiety suggests a cyclic structure that can influence the compound's conformational flexibility and interactions. Additionally, the presence of a thioether linkage (due to the aminoethylthio group) indicates potential for nucleophilic reactivity and may enhance solubility in polar solvents. Overall, the structural features of this compound suggest it may exhibit interesting biological activity, potentially making it relevant in medicinal chemistry or as a biochemical tool. However, specific properties such as solubility, melting point, and reactivity would require empirical data for comprehensive characterization.

Formula: C₁₃H₂₆N₂O₂S

InChI: InChI=1S/C13H26N2O2S/c1-13(2,3)17-12(16)15-10-4-6-11(7-5-10)18-9-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)

InChI key: InChIKey=GFIWKAPXZSMLGO-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1CCC(SCCN)CC1

Synonyms:

• 1,1-Dimethylethyl N-[4-[(2-aminoethyl)thio]cyclohexyl]carbamate
• Carbamic acid, N-[4-[(2-aminoethyl)thio]cyclohexyl]-, 1,1-dimethylethyl ester