ethyl 5-piperazin-1-ylthiophene-2-carboxylate

C11H16N2O2S — CID 119025557

IUPACethyl 5-piperazin-1-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)9-3-4-10(16-9)13-7-5-12-6-8-13/h3-4,12H,2,5-8H2,1H3
InChIKeyPOMQVGJVGAYXOY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.33
Rot. Bonds3

About ethyl 5-piperazin-1-ylthiophene-2-carboxylate

ethyl 5-piperazin-1-ylthiophene-2-carboxylate (PubChem CID 119025557) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 5-piperazin-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperazin-1-ylthiophene-2-carboxylate
PubChem CID119025557
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 5-piperazin-1-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)9-3-4-10(16-9)13-7-5-12-6-8-13/h3-4,12H,2,5-8H2,1H3
InChIKeyPOMQVGJVGAYXOY-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperazin-1-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-piperazin-1-ylthiophene-2-carboxylate (CID 119025557) is ethyl 5-piperazin-1-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-piperazin-1-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-piperazin-1-ylthiophene-2-carboxylate is CCOC(=O)c1ccc(N2CCNCC2)s1.
What is the InChIKey of ethyl 5-piperazin-1-ylthiophene-2-carboxylate?
The InChIKey is POMQVGJVGAYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-11(14)9-3-4-10(16-9)13-7-5-12-6-8-13/h3-4,12H,2,5-8H2,1H3.
What are the key properties of ethyl 5-piperazin-1-ylthiophene-2-carboxylate?
ethyl 5-piperazin-1-ylthiophene-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperazin-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 119025557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).