5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid

C9H12N2O5S2 — CID 43214885

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H12N2O5S2/c1-11(2)7(12)4-10-18(15,16)8-3-6(5-17-8)9(13)14/h3,5,10H,4H2,1-2H3,(H,13,14)
InChIKeyXUPRPJKRSGZZID-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.19
Rot. Bonds5

About 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43214885) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43214885
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H12N2O5S2/c1-11(2)7(12)4-10-18(15,16)8-3-6(5-17-8)9(13)14/h3,5,10H,4H2,1-2H3,(H,13,14)
InChIKeyXUPRPJKRSGZZID-UHFFFAOYSA-N
XLogP-0.19
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-4-methylbenzoic acid
CID 43214883
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid (CID 43214885) is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid is CN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is XUPRPJKRSGZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-11(2)7(12)4-10-18(15,16)8-3-6(5-17-8)9(13)14/h3,5,10H,4H2,1-2H3,(H,13,14).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43214885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).