6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid

C12H15N3O3S — CID 114235877

IUPAC6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H15N3O3S/c16-11(15-4-2-1-3-5-15)8-19-10-7-13-6-9(14-10)12(17)18/h6-7H,1-5,8H2,(H,17,18)
InChIKeyISVGHJYYDOUMNG-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.28
Rot. Bonds4

About 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid

6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 114235877) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid
PubChem CID114235877
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H15N3O3S/c16-11(15-4-2-1-3-5-15)8-19-10-7-13-6-9(14-10)12(17)18/h6-7H,1-5,8H2,(H,17,18)
InChIKeyISVGHJYYDOUMNG-UHFFFAOYSA-N
XLogP1.28
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid (CID 114235877) is 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid is O=C(O)c1cncc(SCC(=O)N2CCCCC2)n1.
What is the InChIKey of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is ISVGHJYYDOUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-11(15-4-2-1-3-5-15)8-19-10-7-13-6-9(14-10)12(17)18/h6-7H,1-5,8H2,(H,17,18).
What are the key properties of 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid?
6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 114235877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).