4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C11H13N3O4S2 — CID 61355869

IUPAC4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-8(5-14-3-2-12-7-14)13-20(17,18)9-4-10(11(15)16)19-6-9/h2-4,6-8,13H,5H2,1H3,(H,15,16)
InChIKeyMZDDGHZTMZKQRL-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.01
Rot. Bonds6

About 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61355869) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61355869
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-8(5-14-3-2-12-7-14)13-20(17,18)9-4-10(11(15)16)19-6-9/h2-4,6-8,13H,5H2,1H3,(H,15,16)
InChIKeyMZDDGHZTMZKQRL-UHFFFAOYSA-N
XLogP1.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552

Frequently Asked Questions

What is the IUPAC name of 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 61355869) is 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is CC(Cn1ccnc1)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is MZDDGHZTMZKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-8(5-14-3-2-12-7-14)13-20(17,18)9-4-10(11(15)16)19-6-9/h2-4,6-8,13H,5H2,1H3,(H,15,16).
What are the key properties of 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61355869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).