2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate

C11H15NO4S2 — CID 103417394

IUPAC2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(SCC)c(C(=O)OC)c1N
InChIInChI=1S/C11H15NO4S2/c1-4-16-10(14)8-7(12)6(9(13)15-3)11(18-8)17-5-2/h4-5,12H2,1-3H3
InChIKeyVZAHCOAXWGLDGS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds5

About 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate

2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate (PubChem CID 103417394) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
PubChem CID103417394
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(SCC)c(C(=O)OC)c1N
InChIInChI=1S/C11H15NO4S2/c1-4-16-10(14)8-7(12)6(9(13)15-3)11(18-8)17-5-2/h4-5,12H2,1-3H3
InChIKeyVZAHCOAXWGLDGS-UHFFFAOYSA-N
XLogP2.41
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
CID 102589254
methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417502
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103417444
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
CID 19064904
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate?
The IUPAC name of 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate (CID 103417394) is 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate?
The canonical SMILES for 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(SCC)c(C(=O)OC)c1N.
What is the InChIKey of 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate?
The InChIKey is VZAHCOAXWGLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-4-16-10(14)8-7(12)6(9(13)15-3)11(18-8)17-5-2/h4-5,12H2,1-3H3.
What are the key properties of 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate?
2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 103417394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).