[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate

C10H11NO3S — CID 2373948

IUPAC[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CC1
InChIInChI=1S/C10H11NO3S/c12-9(11-7-3-4-7)6-14-10(13)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12)
InChIKeyZOWZUKSTISNJIR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.18
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2373948) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2373948
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CC1
InChIInChI=1S/C10H11NO3S/c12-9(11-7-3-4-7)6-14-10(13)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12)
InChIKeyZOWZUKSTISNJIR-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2373948) is [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is ZOWZUKSTISNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(11-7-3-4-7)6-14-10(13)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H,11,12).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 225.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2373948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).