1-(1-ethylsulfonylpiperidin-4-yl)ethanone

C9H17NO3S — CID 58356085

IUPAC1-(1-ethylsulfonylpiperidin-4-yl)ethanone
SMILESCCS(=O)(=O)N1CCC(C(C)=O)CC1
InChIInChI=1S/C9H17NO3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h9H,3-7H2,1-2H3
InChIKeyWVBAVFGIBVALOL-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.64
Rot. Bonds3

About 1-(1-ethylsulfonylpiperidin-4-yl)ethanone

1-(1-ethylsulfonylpiperidin-4-yl)ethanone (PubChem CID 58356085) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidin-4-yl)ethanone
PubChem CID58356085
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-(1-ethylsulfonylpiperidin-4-yl)ethanone
SMILESCCS(=O)(=O)N1CCC(C(C)=O)CC1
InChIInChI=1S/C9H17NO3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h9H,3-7H2,1-2H3
InChIKeyWVBAVFGIBVALOL-UHFFFAOYSA-N
XLogP0.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)ethanone (CID 58356085) is 1-(1-ethylsulfonylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-ethylsulfonylpiperidin-4-yl)ethanone is CCS(=O)(=O)N1CCC(C(C)=O)CC1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidin-4-yl)ethanone?
The InChIKey is WVBAVFGIBVALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonylpiperidin-4-yl)ethanone?
1-(1-ethylsulfonylpiperidin-4-yl)ethanone has a molecular weight of 219.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidin-4-yl)ethanone is sourced from PubChem (CID 58356085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).