4-ethylsulfinyl-3-methylpiperazin-2-one

C7H14N2O2S — CID 131072454

IUPAC4-ethylsulfinyl-3-methylpiperazin-2-one
SMILESCCS(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H14N2O2S/c1-3-12(11)9-5-4-8-7(10)6(9)2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyGLMFMPZZPXEDRD-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.51
Rot. Bonds2

About 4-ethylsulfinyl-3-methylpiperazin-2-one

4-ethylsulfinyl-3-methylpiperazin-2-one (PubChem CID 131072454) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-ethylsulfinyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-ethylsulfinyl-3-methylpiperazin-2-one
PubChem CID131072454
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name4-ethylsulfinyl-3-methylpiperazin-2-one
SMILESCCS(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H14N2O2S/c1-3-12(11)9-5-4-8-7(10)6(9)2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyGLMFMPZZPXEDRD-UHFFFAOYSA-N
XLogP-0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfinyl-3-methylpiperazin-2-one?
The IUPAC name of 4-ethylsulfinyl-3-methylpiperazin-2-one (CID 131072454) is 4-ethylsulfinyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-ethylsulfinyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-ethylsulfinyl-3-methylpiperazin-2-one is CCS(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-ethylsulfinyl-3-methylpiperazin-2-one?
The InChIKey is GLMFMPZZPXEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-12(11)9-5-4-8-7(10)6(9)2/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 4-ethylsulfinyl-3-methylpiperazin-2-one?
4-ethylsulfinyl-3-methylpiperazin-2-one has a molecular weight of 190.27 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfinyl-3-methylpiperazin-2-one is sourced from PubChem (CID 131072454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).