2-(propylsulfonylamino)thiophene-3-carboxylic acid

C8H11NO4S2 — CID 16776881

IUPAC2-(propylsulfonylamino)thiophene-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H11NO4S2/c1-2-5-15(12,13)9-7-6(8(10)11)3-4-14-7/h3-4,9H,2,5H2,1H3,(H,10,11)
InChIKeyRKVAANVHVPBPTE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds5

About 2-(propylsulfonylamino)thiophene-3-carboxylic acid

2-(propylsulfonylamino)thiophene-3-carboxylic acid (PubChem CID 16776881) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(propylsulfonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(propylsulfonylamino)thiophene-3-carboxylic acid
PubChem CID16776881
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name2-(propylsulfonylamino)thiophene-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H11NO4S2/c1-2-5-15(12,13)9-7-6(8(10)11)3-4-14-7/h3-4,9H,2,5H2,1H3,(H,10,11)
InChIKeyRKVAANVHVPBPTE-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43171559
2-(pentylamino)thiophene-3-carboxylic acid
CID 67837297
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid
CID 43627362
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
N-(3-acetylthiophen-2-yl)-2-methoxypropane-1-sulfonamide
CID 126805923
2-propylthiophene-3-carboxylic acid
CID 131595068

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(propylsulfonylamino)thiophene-3-carboxylic acid (CID 16776881) is 2-(propylsulfonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(propylsulfonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(propylsulfonylamino)thiophene-3-carboxylic acid is CCCS(=O)(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(propylsulfonylamino)thiophene-3-carboxylic acid?
The InChIKey is RKVAANVHVPBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-2-5-15(12,13)9-7-6(8(10)11)3-4-14-7/h3-4,9H,2,5H2,1H3,(H,10,11).
What are the key properties of 2-(propylsulfonylamino)thiophene-3-carboxylic acid?
2-(propylsulfonylamino)thiophene-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16776881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).