1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone

C11H21NO3S — CID 59216611

IUPAC1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone
SMILESCCS(=O)(=O)CCN1CCC(C(C)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-16(14,15)9-8-12-6-4-11(5-7-12)10(2)13/h11H,3-9H2,1-2H3
InChIKeyUGZYNKQNUYXFQB-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.72
Rot. Bonds5

About 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone

1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone (PubChem CID 59216611) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone
PubChem CID59216611
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone
SMILESCCS(=O)(=O)CCN1CCC(C(C)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-3-16(14,15)9-8-12-6-4-11(5-7-12)10(2)13/h11H,3-9H2,1-2H3
InChIKeyUGZYNKQNUYXFQB-UHFFFAOYSA-N
XLogP0.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone (CID 59216611) is 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone is CCS(=O)(=O)CCN1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone?
The InChIKey is UGZYNKQNUYXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-16(14,15)9-8-12-6-4-11(5-7-12)10(2)13/h11H,3-9H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone?
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone has a molecular weight of 247.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 59216611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).