4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid

C11H14N2O4S2 — CID 61384905

IUPAC4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4S2/c1-3-13(6-8(2)5-12)19(16,17)9-4-10(11(14)15)18-7-9/h4,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyTYSXRFKECBUIRL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid

4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61384905) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61384905
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4S2/c1-3-13(6-8(2)5-12)19(16,17)9-4-10(11(14)15)18-7-9/h4,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyTYSXRFKECBUIRL-UHFFFAOYSA-N
XLogP1.62
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617805
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61384905) is 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(CC(C)C#N)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is TYSXRFKECBUIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-3-13(6-8(2)5-12)19(16,17)9-4-10(11(14)15)18-7-9/h4,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 302.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61384905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).