| CAS Number | 1019527-84-4 |
| Catalog Number | AG00H9P7(AGN-PC-0WQZ5E) |
| Chemical Name | 1-(Phenylmethane)sulfonylpiperidin-3-amine |
| IUPAC Name | 1-benzylsulfonylpiperidin-3-amine |
| InChI | InChI=1S/C12H18N2O2S/c13-12-7-4-8-14(9-12)17(15,16)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2 |
| InChI Key | GNKKYNJRNPWQGM-UHFFFAOYSA-N |
| MDL Number | MFCD11137497 |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.3485 |
| SMILES | NC1CCCN(C1)S(=O)(=O)Cc1ccccc1 |
| Synonyms | 1-(Phenylmethane)sulfonylpiperidin-3-amine,
1019527-84-4,
AKOS000225672,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.348g/mol |
| Monoisotopic Mass | 254.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number