5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid

C10H12N2O4S2 — CID 54907618

IUPAC5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C#N)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S2/c1-7(5-11)6-12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,6H2,1-2H3,(H,13,14)
InChIKeyRLVWTAXGAGJFLG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.23
Rot. Bonds5

About 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid

5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54907618) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54907618
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C#N)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S2/c1-7(5-11)6-12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,6H2,1-2H3,(H,13,14)
InChIKeyRLVWTAXGAGJFLG-UHFFFAOYSA-N
XLogP1.23
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 54907618) is 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CC(C#N)CN(C)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is RLVWTAXGAGJFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-7(5-11)6-12(2)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54907618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).