1-(2-methylsulfonylethyl)piperazin-2-one

C7H14N2O3S — CID 18536133

IUPAC1-(2-methylsulfonylethyl)piperazin-2-one
SMILESCS(=O)(=O)CCN1CCNCC1=O
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)5-4-9-3-2-8-6-7(9)10/h8H,2-6H2,1H3
InChIKeyLCBOXHIELSYMTG-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.54
Rot. Bonds3

About 1-(2-methylsulfonylethyl)piperazin-2-one

1-(2-methylsulfonylethyl)piperazin-2-one (PubChem CID 18536133) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)piperazin-2-one
PubChem CID18536133
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-(2-methylsulfonylethyl)piperazin-2-one
SMILESCS(=O)(=O)CCN1CCNCC1=O
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)5-4-9-3-2-8-6-7(9)10/h8H,2-6H2,1H3
InChIKeyLCBOXHIELSYMTG-UHFFFAOYSA-N
XLogP-1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)piperazin-2-one?
The IUPAC name of 1-(2-methylsulfonylethyl)piperazin-2-one (CID 18536133) is 1-(2-methylsulfonylethyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methylsulfonylethyl)piperazin-2-one?
The canonical SMILES for 1-(2-methylsulfonylethyl)piperazin-2-one is CS(=O)(=O)CCN1CCNCC1=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)piperazin-2-one?
The InChIKey is LCBOXHIELSYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)5-4-9-3-2-8-6-7(9)10/h8H,2-6H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)piperazin-2-one?
1-(2-methylsulfonylethyl)piperazin-2-one has a molecular weight of 206.27 g/mol, XLogP of -1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)piperazin-2-one is sourced from PubChem (CID 18536133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).