4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid

C10H9NO5S2 — CID 79149423

IUPAC4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCC(=O)N2CCOC2=O)cs1
InChIInChI=1S/C10H9NO5S2/c12-8(11-1-2-16-10(11)15)5-17-6-3-7(9(13)14)18-4-6/h3-4H,1-2,5H2,(H,13,14)
InChIKeyDZKZZMMPOSCLLO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.52
Rot. Bonds4

About 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid

4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79149423) has the molecular formula C10H9NO5S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79149423
Molecular FormulaC10H9NO5S2
Molecular Weight287.32 g/mol
Exact Mass286.99
IUPAC Name4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCC(=O)N2CCOC2=O)cs1
InChIInChI=1S/C10H9NO5S2/c12-8(11-1-2-16-10(11)15)5-17-6-3-7(9(13)14)18-4-6/h3-4H,1-2,5H2,(H,13,14)
InChIKeyDZKZZMMPOSCLLO-UHFFFAOYSA-N
XLogP1.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid (CID 79149423) is 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid is O=C(O)c1cc(SCC(=O)N2CCOC2=O)cs1.
What is the InChIKey of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is DZKZZMMPOSCLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S2/c12-8(11-1-2-16-10(11)15)5-17-6-3-7(9(13)14)18-4-6/h3-4H,1-2,5H2,(H,13,14).
What are the key properties of 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79149423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).