≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CC(CC1CN(C(=O)OC(C)(C)C)S(=O)(=O)N)S |
|---|---|
| IUPAC Name | tert-butyl (2S,4S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate |
| InChIKey | JQXFEQZHDMPMJE-QWRGUYRKSA-N |
| INCHI | 1S/C15H29N3O6S2/c1-14(2,3)23-12(19)17-9-11(25)7-10(17)8-18(26(16,21)22)13(20)24-15(4,5)6/h10-11,25H,7-9H2,1-6H3,(H2,16,21,22)/t10-,11-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)N)S |
| PubChem CID | 10501781 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Organic sulfuric acids and derivatives Carbamate esters Azacyclic compounds Alkylthiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Carbamic acid ester - Organic sulfuric acid or derivatives - Azacycle - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 411.500 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 411.15 Da |
| Monoisotopic Mass | 411.15 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 633.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
