5-[(dimethylamino)methyl]thiophene-2-carboxylate

C8H10NO2S- — CID 4261498

IUPAC5-[(dimethylamino)methyl]thiophene-2-carboxylate
SMILESCN(C)Cc1ccc(C(=O)[O-])s1
InChIInChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-7(12-6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)/p-1
InChIKeyMRIADWLEOQOBHL-UHFFFAOYSA-M
MW184.24 g/mol
LogP0.17
Rot. Bonds3

About 5-[(dimethylamino)methyl]thiophene-2-carboxylate

5-[(dimethylamino)methyl]thiophene-2-carboxylate (PubChem CID 4261498) has the molecular formula C8H10NO2S- and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]thiophene-2-carboxylate
PubChem CID4261498
Molecular FormulaC8H10NO2S-
Molecular Weight184.24 g/mol
Exact Mass184.04
IUPAC Name5-[(dimethylamino)methyl]thiophene-2-carboxylate
SMILESCN(C)Cc1ccc(C(=O)[O-])s1
InChIInChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-7(12-6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)/p-1
InChIKeyMRIADWLEOQOBHL-UHFFFAOYSA-M
XLogP0.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(dimethylamino)methyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]thiophene-2-carboxylate?
The IUPAC name of 5-[(dimethylamino)methyl]thiophene-2-carboxylate (CID 4261498) is 5-[(dimethylamino)methyl]thiophene-2-carboxylate.
What is the SMILES notation for 5-[(dimethylamino)methyl]thiophene-2-carboxylate?
The canonical SMILES for 5-[(dimethylamino)methyl]thiophene-2-carboxylate is CN(C)Cc1ccc(C(=O)[O-])s1.
What is the InChIKey of 5-[(dimethylamino)methyl]thiophene-2-carboxylate?
The InChIKey is MRIADWLEOQOBHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-7(12-6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 5-[(dimethylamino)methyl]thiophene-2-carboxylate?
5-[(dimethylamino)methyl]thiophene-2-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 4261498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).