| CAS Number | 1171337-80-6 |
| Catalog Number | AG00J54R(AGN-PC-0WC9Q0) |
| Chemical Name | 5-((4-Methylpiperidin-1-yl)sulfonyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO4S2/c1-8-4-6-12(7-5-8)18(15,16)10-3-2-9(17-10)11(13)14/h2-3,8H,4-7H2,1H3,(H,13,14) |
| InChI Key | LJLXIBYAFITSNA-UHFFFAOYSA-N |
| MDL Number | MFCD12857511 |
| Molecular Formula | C11H15NO4S2 |
| Molecular Weight | 289.3711 |
| SMILES | CC1CCN(S(C2SC(C(O)=O)=CC=2)(=O)=O)CC1 |
| Synonyms | 1171337-80-6,
5-[(4-methylpiperidin-1-yl)sulfonyl]thiophene-2-carboxylic acid,
5-(4-methylpiperidine-1-sulfonyl)thiophene-2-carboxylic acid,
5-((4-Methylpiperidin-1-yl)sulfonyl)thiophene-2-carboxylic acid,
AC1Q2R93,
ALBB-019516,
MFCD12857511,
ZINC32918653,
AKOS000266416,
MCULE-6846993634,
NE15592,
EN300-71430,
Z234897397,
2-thiophenecarboxylic acid, 5-[(4-methyl-1-piperidinyl)sulfonyl]-,
5-[(4-Methylpiperidin-1-yl)sulfonyl]-thiophene-2-carboxylic acid,
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.364g/mol |
| Monoisotopic Mass | 289.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number