4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid

C10H11N3O4S — CID 82900479

IUPAC4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4S/c14-8-4-11-6(3-12-8)9(15)13-1-2-18-5-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17)
InChIKeyJUPRHGNOUMDWHY-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.59
Rot. Bonds2

About 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid

4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82900479) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82900479
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4S/c14-8-4-11-6(3-12-8)9(15)13-1-2-18-5-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17)
InChIKeyJUPRHGNOUMDWHY-UHFFFAOYSA-N
XLogP-0.59
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid (CID 82900479) is 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is JUPRHGNOUMDWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-8-4-11-6(3-12-8)9(15)13-1-2-18-5-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17).
What are the key properties of 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid?
4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).