| CAS Number | 959918-30-0 |
| Catalog Number | AG01BKDN |
| Chemical Name | 4-Ethynyl-1-(methylsulfonyl)piperidine |
| IUPAC Name | 4-ethynyl-1-methylsulfonylpiperidine |
| InChI | InChI=1S/C8H13NO2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h1,8H,4-7H2,2H3 |
| InChI Key | LBMKSUJQMGXWEJ-UHFFFAOYSA-N |
| MDL Number | MFCD26399772 |
| Molecular Formula | C8H13NO2S |
| Molecular Weight | 187.2593 |
| SMILES | C(#C)C1CCN(CC1)S(=O)(=O)C |
| Synonyms | 4-ethynyl-1-(methylsulfonyl)piperidine,
959918-30-0,
SCHEMBL3763299,
Piperidine, 4-ethynyl-1-(methylsulfonyl)-,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.257g/mol |
| Monoisotopic Mass | 187.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number