| CAS Number | 937609-24-0 |
| Catalog Number | AG01ABES |
| Chemical Name | 1-Methyl-4-(3-methylpiperidine-1-sulfonyl)-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C12H18N2O4S/c1-9-4-3-5-14(7-9)19(17,18)10-6-11(12(15)16)13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16) |
| InChI Key | VVDVFINHBVRBOY-UHFFFAOYSA-N |
| MDL Number | MFCD09053192 |
| Molecular Formula | C12H18N2O4S |
| Molecular Weight | 286.3473 |
| SMILES | CC1CN(S(C2=CN(C)C(C(O)=O)=C2)(=O)=O)CCC1 |
| Synonyms | 1-METHYL-4-[(3-METHYLPIPERIDIN-1-YL)SULFONYL]-1H-PYRROLE-2-CARBOXYLIC ACID,
937609-24-0,
1-methyl-4-(3-methylpiperidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid,
AC1Q2R5G,
CTK6C2701,
AKOS000136791,
AKOS021982678,
MCULE-3101519413,
NE20065,
EN300-71416,
Z234897401,
1-methyl-4-[(3-methylpiperidino)sulfonyl]-1H-pyrrole-2-carboxylic acid,
|
| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.346g/mol |
| Monoisotopic Mass | 286.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number