4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

C11H15NO3S2 — CID 79139356

IUPAC4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO3S2/c1-7(2)12(3)10(13)6-16-8-4-9(11(14)15)17-5-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyUGTFHIOAXMZXNP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds5

About 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79139356) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79139356
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO3S2/c1-7(2)12(3)10(13)6-16-8-4-9(11(14)15)17-5-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyUGTFHIOAXMZXNP-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Diethylamino thiophene-2-carboxylate
CID 102233924
4-t-Butylmercapto-2-thiophene-carboxylic acid
CID 129805465
4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618150
4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149340
4-(N,N-Diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
Methyl 3-[(diethylcarbamoyl)sulfanyl]thiophene-2-carboxylate
CID 13199380
4-[(2,2-Dimethylpropanoylamino)methylsulfanyl]thiophene-2-carboxylic acid
CID 54304932
5-[2-[(4S)-4-[(E,3S)-3-hydroxypent-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]ethylsulfanyl]thiophene-2-carboxylic acid
CID 57893919
5-[2-[(2R)-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]thiophene-2-carboxylic acid
CID 57893932
5-[2-(2-Methyl-5-oxopyrrolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
CID 59752076
5-[2-(2-Methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid
CID 59752125
5-[2-(2-Ethyl-5-oxopyrrolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
CID 68245670

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (CID 79139356) is 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is CC(C)N(C)C(=O)CSc1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is UGTFHIOAXMZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7(2)12(3)10(13)6-16-8-4-9(11(14)15)17-5-8/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79139356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).