5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid

C11H17NO2S — CID 15915490

IUPAC5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid
SMILESCCN(CC)CCc1ccc(C(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-3-12(4-2)8-7-9-5-6-10(15-9)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeySCHHPKWQXKFSIF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.33
Rot. Bonds6

About 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid

5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid (PubChem CID 15915490) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid
PubChem CID15915490
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid
SMILESCCN(CC)CCc1ccc(C(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-3-12(4-2)8-7-9-5-6-10(15-9)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeySCHHPKWQXKFSIF-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid (CID 15915490) is 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid is CCN(CC)CCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid?
The InChIKey is SCHHPKWQXKFSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-12(4-2)8-7-9-5-6-10(15-9)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid?
5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid has a molecular weight of 227.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 15915490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).