5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid

C9H10N2O4S2 — CID 62667746

IUPAC5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
SMILESN#CCCCNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H10N2O4S2/c10-3-1-2-4-11-17(14,15)8-5-7(6-16-8)9(12)13/h5-6,11H,1-2,4H2,(H,12,13)
InChIKeyHNSIHRRILDMULJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.03
Rot. Bonds6

About 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid

5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 62667746) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID62667746
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
SMILESN#CCCCNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H10N2O4S2/c10-3-1-2-4-11-17(14,15)8-5-7(6-16-8)9(12)13/h5-6,11H,1-2,4H2,(H,12,13)
InChIKeyHNSIHRRILDMULJ-UHFFFAOYSA-N
XLogP1.03
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
CID 115515900
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
4-chloro-3-(3-cyanopropylsulfamoyl)benzoic acid
CID 62665661
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid (CID 62667746) is 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid is N#CCCCNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is HNSIHRRILDMULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c10-3-1-2-4-11-17(14,15)8-5-7(6-16-8)9(12)13/h5-6,11H,1-2,4H2,(H,12,13).
What are the key properties of 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid?
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 62667746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).