CAS 939997-64-5

1-(1,1-Dimethylethyl) 4-(methylsulfonyl)-1,2-piperazinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(methylsulfonyl)-1,2-piperazinedicarboxylate is a chemical compound characterized by its piperazine core, which is a six-membered ring containing two nitrogen atoms. The presence of a tert-butyl group (1,1-dimethylethyl) and a methylsulfonyl group contributes to its unique properties, including increased lipophilicity and potential biological activity. The compound features two carboxylate functional groups, which can influence its solubility and reactivity. Typically, such compounds may exhibit pharmacological properties, making them of interest in medicinal chemistry. The molecular structure suggests potential interactions with biological targets, possibly affecting enzyme activity or receptor binding. Additionally, the presence of the sulfonyl group may enhance the compound's stability and solubility in various solvents. Overall, this compound's characteristics, including its functional groups and structural features, suggest it may have applications in drug development or as a biochemical probe. However, specific biological activity and safety profiles would require further investigation through experimental studies.

Formula: C₁₁H₂₀N₂O₆S

InChI: InChI=1S/C11H20N2O6S/c1-11(2,3)19-10(16)13-6-5-12(20(4,17)18)7-8(13)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)

InChI key: InChIKey=SJUXSKMCWBAOPN-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(C(O)=O)CN(S(C)(=O)=O)CC1

Synonyms:

• 1,2-Piperazinedicarboxylic acid, 4-(methylsulfonyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 4-(methylsulfonyl)-1,2-piperazinedicarboxylate