ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate

C11H15NO3S2 — CID 51072343

IUPACethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NCc1cccs1
InChIInChI=1S/C11H15NO3S2/c1-2-15-11(14)8-16-7-10(13)12-6-9-4-3-5-17-9/h3-5H,2,6-8H2,1H3,(H,12,13)
InChIKeyMYVQARBLPGFFHM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.66
Rot. Bonds7

About ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate

ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate (PubChem CID 51072343) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate
PubChem CID51072343
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Nameethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NCc1cccs1
InChIInChI=1S/C11H15NO3S2/c1-2-15-11(14)8-16-7-10(13)12-6-9-4-3-5-17-9/h3-5H,2,6-8H2,1H3,(H,12,13)
InChIKeyMYVQARBLPGFFHM-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate (CID 51072343) is ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate is CCOC(=O)CSCC(=O)NCc1cccs1.
What is the InChIKey of ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate?
The InChIKey is MYVQARBLPGFFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-2-15-11(14)8-16-7-10(13)12-6-9-4-3-5-17-9/h3-5H,2,6-8H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate?
ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate has a molecular weight of 273.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylacetate is sourced from PubChem (CID 51072343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).