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

C10H13NO3S2 — CID 79140235

IUPAC4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESCCN(C)C(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO3S2/c1-3-11(2)9(12)6-15-7-4-8(10(13)14)16-5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyDRUNYXFNHZKNMQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds5

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

4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79140235) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79140235
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESCCN(C)C(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO3S2/c1-3-11(2)9(12)6-15-7-4-8(10(13)14)16-5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyDRUNYXFNHZKNMQ-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Diethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414408
Diethylamino thiophene-2-carboxylate
CID 102233924
N,N-diethylethanamine;5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 174935437
4-Methylthio-2-thiophenecarboxylic acid
CID 13415224
Triethyl-ammonium thiophenate
CID 129651162
4-Butylseleno-2-thiophenecarboxylic acid
CID 129804274
4-t-Butylmercapto-2-thiophene-carboxylic acid
CID 129805465
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55149641
4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149340
4-(3-Fluoropropylsulfanyl)thiophene-2-carboxylic acid
CID 81106757
4-(4-Thiomorpholinylsulfonyl)-2-thiophenecarboxylic acid
CID 27241967
4-(N,N-Diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (CID 79140235) is 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is CCN(C)C(=O)CSc1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is DRUNYXFNHZKNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-3-11(2)9(12)6-15-7-4-8(10(13)14)16-5-7/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).