4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

C10H16N2O4S2 — CID 82945758

IUPAC4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CN(C)C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S2/c1-7(5-12(2)3)11-18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7,11H,5H2,1-3H3,(H,13,14)
InChIKeyPLWNRNMSDCZTSX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.67
Rot. Bonds6

About 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 82945758) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID82945758
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CN(C)C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S2/c1-7(5-12(2)3)11-18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7,11H,5H2,1-3H3,(H,13,14)
InChIKeyPLWNRNMSDCZTSX-UHFFFAOYSA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61355869
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 82924057
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (CID 82945758) is 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is CC(CN(C)C)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PLWNRNMSDCZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-7(5-12(2)3)11-18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7,11H,5H2,1-3H3,(H,13,14).
What are the key properties of 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82945758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).