4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid

C10H13NO3S2 — CID 79140339

IUPAC4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
SMILESCC(Sc1csc(C(=O)O)c1)C(=O)N(C)C
InChIInChI=1S/C10H13NO3S2/c1-6(9(12)11(2)3)16-7-4-8(10(13)14)15-5-7/h4-6H,1-3H3,(H,13,14)
InChIKeyQBRIAZIZBRSBGA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds4

About 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid

4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79140339) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
PubChem CID79140339
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
SMILESCC(Sc1csc(C(=O)O)c1)C(=O)N(C)C
InChIInChI=1S/C10H13NO3S2/c1-6(9(12)11(2)3)16-7-4-8(10(13)14)15-5-7/h4-6H,1-3H3,(H,13,14)
InChIKeyQBRIAZIZBRSBGA-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylthiophene-2-carboxylic acid
CID 79149760
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79139170
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149156
4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149425
4-(2-methylpropylsulfanyl)thiophene-2-carboxylic acid
CID 79149154
4-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149512
4-(2-ethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 82927723
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
CID 28635203
4-(3,3-dimethylbutylsulfanyl)thiophene-2-carboxylic acid
CID 79149069
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79140540
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79139184
4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
CID 79140538

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid (CID 79140339) is 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid is CC(Sc1csc(C(=O)O)c1)C(=O)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is QBRIAZIZBRSBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-6(9(12)11(2)3)16-7-4-8(10(13)14)15-5-7/h4-6H,1-3H3,(H,13,14).
What are the key properties of 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid?
4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).