| CAS Number | 933685-78-0 |
| Catalog Number | AG019S22 |
| Chemical Name | 2-[5-(piperidine-1-sulfonyl)thiophen-2-yl]ethan-1-amine |
| IUPAC Name | 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanamine |
| InChI | InChI=1S/C11H18N2O2S2/c12-7-6-10-4-5-11(16-10)17(14,15)13-8-2-1-3-9-13/h4-5H,1-3,6-9,12H2 |
| InChI Key | INOFADRYFQAUMI-UHFFFAOYSA-N |
| MDL Number | MFCD12425350 |
| Molecular Formula | C11H18N2O2S2 |
| Molecular Weight | 274.4028 |
| SMILES | NCCC1SC(S(N2CCCCC2)(=O)=O)=CC=1 |
| Synonyms | 2-[5-(piperidine-1-sulfonyl)thiophen-2-yl]ethan-1-amine,
933685-78-0,
ZINC35206627,
AKOS005840342,
MCULE-9331008601,
NE21039,
EN300-91489,
Z1266933931,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.397g/mol |
| Monoisotopic Mass | 274.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number