1-(2-methylsulfonylethyl)piperidin-4-one

C8H15NO3S — CID 21061237

IUPAC1-(2-methylsulfonylethyl)piperidin-4-one
SMILESCS(=O)(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3
InChIKeyWVBXYJAAOAPSJK-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.30
Rot. Bonds3

About 1-(2-methylsulfonylethyl)piperidin-4-one

1-(2-methylsulfonylethyl)piperidin-4-one (PubChem CID 21061237) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)piperidin-4-one
PubChem CID21061237
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-(2-methylsulfonylethyl)piperidin-4-one
SMILESCS(=O)(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3
InChIKeyWVBXYJAAOAPSJK-UHFFFAOYSA-N
XLogP-0.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)piperidin-4-one?
The IUPAC name of 1-(2-methylsulfonylethyl)piperidin-4-one (CID 21061237) is 1-(2-methylsulfonylethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-methylsulfonylethyl)piperidin-4-one?
The canonical SMILES for 1-(2-methylsulfonylethyl)piperidin-4-one is CS(=O)(=O)CCN1CCC(=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)piperidin-4-one?
The InChIKey is WVBXYJAAOAPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)piperidin-4-one?
1-(2-methylsulfonylethyl)piperidin-4-one has a molecular weight of 205.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)piperidin-4-one is sourced from PubChem (CID 21061237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).