3-[(dimethylamino)methyl]thiophene-2-carboxylic acid

C8H11NO2S — CID 63639375

IUPAC3-[(dimethylamino)methyl]thiophene-2-carboxylic acid
SMILESCN(C)Cc1ccsc1C(=O)O
InChIInChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-12-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyZDKXYLMFGMDYBT-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.51
Rot. Bonds3

About 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid

3-[(dimethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 63639375) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID63639375
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-[(dimethylamino)methyl]thiophene-2-carboxylic acid
SMILESCN(C)Cc1ccsc1C(=O)O
InChIInChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-12-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyZDKXYLMFGMDYBT-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid (CID 63639375) is 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid is CN(C)Cc1ccsc1C(=O)O.
What is the InChIKey of 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is ZDKXYLMFGMDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9(2)5-6-3-4-12-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid?
3-[(dimethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63639375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).