ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone

C10H16N2OS — CID 90992947

IUPACethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone
SMILESCC.CCSc1nccnc1C(C)=O
InChIInChI=1S/C8H10N2OS.C2H6/c1-3-12-8-7(6(2)11)9-4-5-10-8;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyKEJZGGFDRDBXEM-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.82
Rot. Bonds3

About ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone

ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone (PubChem CID 90992947) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone
PubChem CID90992947
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Nameethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone
SMILESCC.CCSc1nccnc1C(C)=O
InChIInChI=1S/C8H10N2OS.C2H6/c1-3-12-8-7(6(2)11)9-4-5-10-8;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyKEJZGGFDRDBXEM-UHFFFAOYSA-N
XLogP2.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone 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-ethylsulfanyl-N-hydroxypyrazine-2-carboxamide
CID 137215183
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
1-(3-bromopyrazin-2-yl)ethanone
CID 154466842
1-(3-ethylsulfanyl-5-pyrimidin-2-yl-2-pyridinyl)ethanone
CID 121320656
S-(3-acetylsulfanylpyrazin-2-yl) ethanethioate
CID 11379183
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethylsulfanylpyrazine-2-carboxylate
CID 154863270
3-butan-2-ylsulfanylpyrazine-2-carboxylic acid
CID 62701941
1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668
1-[3-(azidomethyl)pyrazin-2-yl]ethanone
CID 90194934
1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
CID 155167120
4-bromo-3-ethylsulfanylpyridine-2-carboxylic acid
CID 151472066

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone?
The IUPAC name of ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone (CID 90992947) is ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone.
What is the SMILES notation for ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone?
The canonical SMILES for ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone is CC.CCSc1nccnc1C(C)=O.
What is the InChIKey of ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone?
The InChIKey is KEJZGGFDRDBXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS.C2H6/c1-3-12-8-7(6(2)11)9-4-5-10-8;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone?
ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone has a molecular weight of 212.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylsulfanylpyrazin-2-yl)ethanone is sourced from PubChem (CID 90992947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).