2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol

C11H23NO3S — CID 62020828

IUPAC2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol
SMILESCCS(=O)(=O)CCN1CCCCC1CCO
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)10-8-12-7-4-3-5-11(12)6-9-13/h11,13H,2-10H2,1H3
InChIKeyUJVSOYKGACTGSJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.66
Rot. Bonds6

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 Name2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol
PubChem CID62020828
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[1-(2-ethylsulfonylethyl)piperidin-2-yl]ethanol
SMILESCCS(=O)(=O)CCN1CCCCC1CCO
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)10-8-12-7-4-3-5-11(12)6-9-13/h11,13H,2-10H2,1H3
InChIKeyUJVSOYKGACTGSJ-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).