| Canonical Smiles | CS(=O)(=O)C1CCCNC1 |
|---|---|
| IUPAC Name | (3S)-3-methylsulfonylpiperidine |
| InChIKey | PBJLJPZGBKCUKM-LURJTMIESA-N |
| INCHI | 1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1 |
| Isomeric SMILES | CS(=O)(=O)[C@H]1CCCNC1 |
| PubChem CID | 28200983 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidines |
| Alternative Parents | Sulfones Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidine - Sulfonyl - Sulfone - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 163.240 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.067 Da |
| Monoisotopic Mass | 163.067 Da |
| Topological Polar Surface Area | 54.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
