| CAS Number | 926253-38-5 |
| Catalog Number | AG019MDE |
| Chemical Name | 5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine |
| IUPAC Name | [5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]hydrazine |
| InChI | InChI=1S/C17H22N4O2S/c18-20-17-7-6-16(13-19-17)24(22,23)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,18H2,(H,19,20) |
| InChI Key | SJKDTPCRTARDKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09049455 |
| Molecular Formula | C17H22N4O2S |
| Molecular Weight | 346.4472 |
| SMILES | NNC1=NC=C(S(N2CCC(CC3=CC=CC=C3)CC2)(=O)=O)C=C1 |
| Synonyms | 5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine,
5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-hydrazinopyridine,
EN300-35835,
926253-38-5,
AC1Q553O,
CTK7F1618,
ZINC20282913,
AKOS000132804,
MCULE-1319325983,
NE37996,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.449g/mol |
| Monoisotopic Mass | 346.146g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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