3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one

C8H11N3O3S — CID 115684957

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H11N3O3S/c12-8-7(9-1-2-10-8)11-3-5-15(13,14)6-4-11/h1-2H,3-6H2,(H,10,12)
InChIKeyNWEUVSWLELXYSS-UHFFFAOYSA-N
MW229.26 g/mol
LogP-1.00
Rot. Bonds1

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one

3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one (PubChem CID 115684957) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
PubChem CID115684957
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H11N3O3S/c12-8-7(9-1-2-10-8)11-3-5-15(13,14)6-4-11/h1-2H,3-6H2,(H,10,12)
InChIKeyNWEUVSWLELXYSS-UHFFFAOYSA-N
XLogP-1.00
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
1-(2-oxo-1H-pyrazin-3-yl)-1,4-diazepan-5-one
CID 115657445
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 114571063
3-(7-azabicyclo[2.2.1]heptan-7-yl)-1H-pyrazin-2-one
CID 126856968
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide
CID 114570765
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one (CID 115684957) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one?
The InChIKey is NWEUVSWLELXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-8-7(9-1-2-10-8)11-3-5-15(13,14)6-4-11/h1-2H,3-6H2,(H,10,12).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one has a molecular weight of 229.26 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115684957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).