[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate

C10H13NO3S — CID 2423569

IUPAC[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-5-11-9(12)7-14-10(13)8-4-3-6-15-8/h3-4,6H,2,5,7H2,1H3,(H,11,12)
InChIKeyXBDYNHFGRPSAGL-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds5

About [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate

[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate (PubChem CID 2423569) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate
PubChem CID2423569
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-5-11-9(12)7-14-10(13)8-4-3-6-15-8/h3-4,6H,2,5,7H2,1H3,(H,11,12)
InChIKeyXBDYNHFGRPSAGL-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate (CID 2423569) is [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate is CCCNC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate?
The InChIKey is XBDYNHFGRPSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-5-11-9(12)7-14-10(13)8-4-3-6-15-8/h3-4,6H,2,5,7H2,1H3,(H,11,12).
What are the key properties of [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2423569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).