| CAS Number | 937625-15-5 |
| Catalog Number | AG019MJT |
| Chemical Name | 1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H16N2O4S/c1-12-8-9(7-10(12)11(14)15)18(16,17)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,14,15) |
| InChI Key | KSRZOKMBEVEESD-UHFFFAOYSA-N |
| MDL Number | MFCD09052822 |
| Molecular Formula | C11H16N2O4S |
| Molecular Weight | 272.3207 |
| SMILES | CN1C(C(O)=O)=CC(S(N2CCCCC2)(=O)=O)=C1 |
| Synonyms | 1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid,
937625-15-5,
1-methyl-4-(piperidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid,
AC1Q3YRX,
CTK7I6924,
ZINC20283605,
AKOS000136408,
MCULE-9238783743,
NE19136,
EN300-36405,
Z319547500,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.319g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number