[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C10H13NO3S — CID 2418493

IUPAC[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCNC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C10H13NO3S/c1-3-11-8(12)6-14-10(13)9-7(2)4-5-15-9/h4-5H,3,6H2,1-2H3,(H,11,12)
InChIKeyWNZGQWUDFJTFSD-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.35
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2418493) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2418493
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCNC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C10H13NO3S/c1-3-11-8(12)6-14-10(13)9-7(2)4-5-15-9/h4-5H,3,6H2,1-2H3,(H,11,12)
InChIKeyWNZGQWUDFJTFSD-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2418493) is [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is CCNC(=O)COC(=O)c1sccc1C.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is WNZGQWUDFJTFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-11-8(12)6-14-10(13)9-7(2)4-5-15-9/h4-5H,3,6H2,1-2H3,(H,11,12).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2418493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).