2-ethoxy-5-methylsulfonylpyrazine

C7H10N2O3S — CID 119086176

IUPAC2-ethoxy-5-methylsulfonylpyrazine
SMILESCCOc1cnc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H10N2O3S/c1-3-12-6-4-9-7(5-8-6)13(2,10)11/h4-5H,3H2,1-2H3
InChIKeyZNPVAYJBWCYYAM-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.28
Rot. Bonds3

About 2-ethoxy-5-methylsulfonylpyrazine

2-ethoxy-5-methylsulfonylpyrazine (PubChem CID 119086176) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-ethoxy-5-methylsulfonylpyrazine.

Molecular Properties

Compound Name2-ethoxy-5-methylsulfonylpyrazine
PubChem CID119086176
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-ethoxy-5-methylsulfonylpyrazine
SMILESCCOc1cnc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H10N2O3S/c1-3-12-6-4-9-7(5-8-6)13(2,10)11/h4-5H,3H2,1-2H3
InChIKeyZNPVAYJBWCYYAM-UHFFFAOYSA-N
XLogP0.28
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylsulfonylpyrazine?
The IUPAC name of 2-ethoxy-5-methylsulfonylpyrazine (CID 119086176) is 2-ethoxy-5-methylsulfonylpyrazine.
What is the SMILES notation for 2-ethoxy-5-methylsulfonylpyrazine?
The canonical SMILES for 2-ethoxy-5-methylsulfonylpyrazine is CCOc1cnc(S(C)(=O)=O)cn1.
What is the InChIKey of 2-ethoxy-5-methylsulfonylpyrazine?
The InChIKey is ZNPVAYJBWCYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-12-6-4-9-7(5-8-6)13(2,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methylsulfonylpyrazine?
2-ethoxy-5-methylsulfonylpyrazine has a molecular weight of 202.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylsulfonylpyrazine is sourced from PubChem (CID 119086176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).