3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid

C12H18N2O5S2 — CID 60925499

IUPAC3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-3-14(4-2)10(15)5-7-13-21(18,19)9-6-8-20-11(9)12(16)17/h6,8,13H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyITKHLJGXETTWKA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.98
Rot. Bonds8

About 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid

3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60925499) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60925499
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-3-14(4-2)10(15)5-7-13-21(18,19)9-6-8-20-11(9)12(16)17/h6,8,13H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyITKHLJGXETTWKA-UHFFFAOYSA-N
XLogP0.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid (CID 60925499) is 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid is CCN(CC)C(=O)CCNS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ITKHLJGXETTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-3-14(4-2)10(15)5-7-13-21(18,19)9-6-8-20-11(9)12(16)17/h6,8,13H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).