| CAS Number | 1171069-02-5 |
| Catalog Number | AG01A7JS |
| Chemical Name | 1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H17N3O4S/c1-8-12-10(7-13(8)2)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16) |
| InChI Key | GLQFVIHELXKZGG-UHFFFAOYSA-N |
| MDL Number | MFCD14281330 |
| Molecular Formula | C11H17N3O4S |
| Molecular Weight | 287.3354 |
| SMILES | CC1N(C)C=C(S(N2CCC(C(O)=O)CC2)(=O)=O)N=1 |
| Synonyms | 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylic acid,
1171069-02-5,
1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidine-4-carboxylic acid,
AC1Q3YUQ,
CTK7J0288,
ZINC32917964,
AKOS004911645,
MCULE-2092791088,
NE28139,
EN300-58951,
Z969560720,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.334g/mol |
| Monoisotopic Mass | 287.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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