| CAS Number | 933735-49-0 |
| Catalog Number | AG019MJV |
| Chemical Name | 5-(Piperidin-1-ylsulfonyl)-2-furoic acid |
| IUPAC Name | 5-piperidin-1-ylsulfonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C10H13NO5S/c12-10(13)8-4-5-9(16-8)17(14,15)11-6-2-1-3-7-11/h4-5H,1-3,6-7H2,(H,12,13) |
| InChI Key | XVNZIFBTLPDVRQ-UHFFFAOYSA-N |
| MDL Number | MFCD10686901 |
| Molecular Formula | C10H13NO5S |
| Molecular Weight | 259.2789 |
| SMILES | OC(C1OC(S(N2CCCCC2)(=O)=O)=CC=1)=O |
| Synonyms | 5-(piperidine-1-sulfonyl)furan-2-carboxylic acid,
5-(piperidin-1-ylsulfonyl)-2-furoic acid,
933735-49-0,
AC1Q73F8,
CTK7I8331,
ZINC20283609,
AKOS008119258,
MCULE-1525269480,
NE60119,
EN300-36407,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.276g/mol |
| Monoisotopic Mass | 259.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number