ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate

C11H17NO2S — CID 63091275

IUPACethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate
SMILESCCNc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C11H17NO2S/c1-4-8-7-9(11(13)14-6-3)10(15-8)12-5-2/h7,12H,4-6H2,1-3H3
InChIKeyOSCHKPSOWNONAC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.92
Rot. Bonds5

About ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate (PubChem CID 63091275) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate
PubChem CID63091275
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nameethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate
SMILESCCNc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C11H17NO2S/c1-4-8-7-9(11(13)14-6-3)10(15-8)12-5-2/h7,12H,4-6H2,1-3H3
InChIKeyOSCHKPSOWNONAC-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate (CID 63091275) is ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate is CCNc1sc(CC)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate?
The InChIKey is OSCHKPSOWNONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-8-7-9(11(13)14-6-3)10(15-8)12-5-2/h7,12H,4-6H2,1-3H3.
What are the key properties of ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(ethylamino)thiophene-3-carboxylate is sourced from PubChem (CID 63091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).