3-ethenylsulfonyl-1-propylpyrazin-2-one

C9H12N2O3S — CID 62928825

IUPAC3-ethenylsulfonyl-1-propylpyrazin-2-one
SMILESC=CS(=O)(=O)c1nccn(CCC)c1=O
InChIInChI=1S/C9H12N2O3S/c1-3-6-11-7-5-10-8(9(11)12)15(13,14)4-2/h4-5,7H,2-3,6H2,1H3
InChIKeyYSWLCLKLPBFNRJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.57
Rot. Bonds4

About 3-ethenylsulfonyl-1-propylpyrazin-2-one

3-ethenylsulfonyl-1-propylpyrazin-2-one (PubChem CID 62928825) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-ethenylsulfonyl-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-ethenylsulfonyl-1-propylpyrazin-2-one
PubChem CID62928825
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-ethenylsulfonyl-1-propylpyrazin-2-one
SMILESC=CS(=O)(=O)c1nccn(CCC)c1=O
InChIInChI=1S/C9H12N2O3S/c1-3-6-11-7-5-10-8(9(11)12)15(13,14)4-2/h4-5,7H,2-3,6H2,1H3
InChIKeyYSWLCLKLPBFNRJ-UHFFFAOYSA-N
XLogP0.57
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-2-methylpropyl)sulfonyl-1-propylpyrazin-2-one
CID 66106017
2-ethenylsulfonyl-1-ethylimidazole
CID 62136967
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
CID 113496630
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-chloro-1-propylimidazole
CID 142765750
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
CID 55157178

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-1-propylpyrazin-2-one?
The IUPAC name of 3-ethenylsulfonyl-1-propylpyrazin-2-one (CID 62928825) is 3-ethenylsulfonyl-1-propylpyrazin-2-one.
What is the SMILES notation for 3-ethenylsulfonyl-1-propylpyrazin-2-one?
The canonical SMILES for 3-ethenylsulfonyl-1-propylpyrazin-2-one is C=CS(=O)(=O)c1nccn(CCC)c1=O.
What is the InChIKey of 3-ethenylsulfonyl-1-propylpyrazin-2-one?
The InChIKey is YSWLCLKLPBFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-6-11-7-5-10-8(9(11)12)15(13,14)4-2/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-ethenylsulfonyl-1-propylpyrazin-2-one?
3-ethenylsulfonyl-1-propylpyrazin-2-one has a molecular weight of 228.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-1-propylpyrazin-2-one is sourced from PubChem (CID 62928825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).