4-ethylsulfonylpiperazin-2-one

C6H12N2O3S — CID 61362063

IUPAC4-ethylsulfonylpiperazin-2-one
SMILESCCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-2-12(10,11)8-4-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)
InChIKeyRIYSRMBGIHBGGO-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.23
Rot. Bonds2

About 4-ethylsulfonylpiperazin-2-one

4-ethylsulfonylpiperazin-2-one (PubChem CID 61362063) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-ethylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-ethylsulfonylpiperazin-2-one
PubChem CID61362063
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name4-ethylsulfonylpiperazin-2-one
SMILESCCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-2-12(10,11)8-4-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)
InChIKeyRIYSRMBGIHBGGO-UHFFFAOYSA-N
XLogP-1.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylpiperazin-2-one?
The IUPAC name of 4-ethylsulfonylpiperazin-2-one (CID 61362063) is 4-ethylsulfonylpiperazin-2-one.
What is the SMILES notation for 4-ethylsulfonylpiperazin-2-one?
The canonical SMILES for 4-ethylsulfonylpiperazin-2-one is CCS(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-ethylsulfonylpiperazin-2-one?
The InChIKey is RIYSRMBGIHBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-2-12(10,11)8-4-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9).
What are the key properties of 4-ethylsulfonylpiperazin-2-one?
4-ethylsulfonylpiperazin-2-one has a molecular weight of 192.24 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylpiperazin-2-one is sourced from PubChem (CID 61362063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).