[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C11H13NO3S — CID 2591074

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CC1
InChIInChI=1S/C11H13NO3S/c13-10(12-9-1-2-9)6-15-11(14)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2,(H,12,13)
InChIKeyYTZFMOQUROVEGW-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.11
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2591074) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2591074
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CC1
InChIInChI=1S/C11H13NO3S/c13-10(12-9-1-2-9)6-15-11(14)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2,(H,12,13)
InChIKeyYTZFMOQUROVEGW-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate 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] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2591074) is [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is YTZFMOQUROVEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(12-9-1-2-9)6-15-11(14)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2,(H,12,13).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 239.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2591074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).