2-(dimethylamino)ethyl thiophene-2-carboxylate

C9H13NO2S — CID 844444

IUPAC2-(dimethylamino)ethyl thiophene-2-carboxylate
SMILESCN(C)CCOC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-10(2)5-6-12-9(11)8-4-3-7-13-8/h3-4,7H,5-6H2,1-2H3
InChIKeyITFVYRDODSBYIW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.47
Rot. Bonds4

About 2-(dimethylamino)ethyl thiophene-2-carboxylate

2-(dimethylamino)ethyl thiophene-2-carboxylate (PubChem CID 844444) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl thiophene-2-carboxylate
PubChem CID844444
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(dimethylamino)ethyl thiophene-2-carboxylate
SMILESCN(C)CCOC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-10(2)5-6-12-9(11)8-4-3-7-13-8/h3-4,7H,5-6H2,1-2H3
InChIKeyITFVYRDODSBYIW-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl thiophene-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl thiophene-2-carboxylate (CID 844444) is 2-(dimethylamino)ethyl thiophene-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl thiophene-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl thiophene-2-carboxylate is CN(C)CCOC(=O)c1cccs1.
What is the InChIKey of 2-(dimethylamino)ethyl thiophene-2-carboxylate?
The InChIKey is ITFVYRDODSBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10(2)5-6-12-9(11)8-4-3-7-13-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl thiophene-2-carboxylate?
2-(dimethylamino)ethyl thiophene-2-carboxylate has a molecular weight of 199.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl thiophene-2-carboxylate is sourced from PubChem (CID 844444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).