CAS 1801766-79-9: 1,1-Dimethylethyl (3R,4S)-4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

Description:1,1-Dimethylethyl (3R,4S)-4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate, with the CAS number 1801766-79-9, is a complex organic compound characterized by its unique spirocyclic structure, which includes both a sulfinyl group and an ester functional group. The presence of multiple chiral centers contributes to its stereochemistry, influencing its biological activity and interactions. This compound is likely to exhibit specific solubility properties, depending on the functional groups present, and may participate in hydrogen bonding due to the presence of the sulfinyl and carboxylate groups. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where such spirocyclic compounds can exhibit diverse biological activities. Additionally, the presence of the dimethyl groups may enhance lipophilicity, affecting its pharmacokinetic properties. Overall, the compound's intricate structure and functional groups make it a subject of interest for further research in chemical and biological fields.

Formula:C₁₈H₃₄N₂O₄S

InChI:InChI=1S/C18H34N2O4S/c1-13-14(19-25(22)17(5,6)7)18(12-23-13)8-10-20(11-9-18)15(21)24-16(2,3)4/h13-14,19H,8-12H2,1-7H3/t13-,14-,25-/m1/s1

InChI key:InChIKey=ZHHCNYQSLINMTK-FPIQFJIESA-N

SMILES:O=C(OC(C)(C)C)N1CCC2(COC(C)C2NS(=O)C(C)(C)C)CC1

Synonyms:
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-3-methyl-, 1,1-dimethylethyl ester, (3R,4S)-
1,1-Dimethylethyl (3R,4S)-4-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate