About 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol
2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol (PubChem CID 62020828) has the molecular formula C11H23NO3S
and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol.
Molecular Properties
| Compound Name | 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol |
| PubChem CID | 62020828 |
| Molecular Formula | C11H23NO3S |
| Molecular Weight | 249.38 g/mol |
| Exact Mass | 249.14 |
| IUPAC Name | 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol |
| SMILES | CCS(=O)(=O)CCN1CCCCC1CCO |
| InChI | InChI=1S/C11H23NO3S/c1-2-16(14,15)10-8-12-7-4-3-5-11(12)6-9-13/h11,13H,2-10H2,1H3 |
| InChIKey | UJVSOYKGACTGSJ-UHFFFAOYSA-N |
| XLogP | 0.66 |
| TPSA | 57.61 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 249.38 |
| LogP ≤ 5 | 0.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol (CID 62020828) is 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol is CCS(=O)(=O)CCN1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol?
The InChIKey is UJVSOYKGACTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(14,15)10-8-12-7-4-3-5-11(12)6-9-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol?
2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol has a molecular weight of 249.38 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 62020828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).