5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid

C11H15NO4S2 — CID 113437786

IUPAC5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESC=CCCCN(C)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H15NO4S2/c1-3-4-5-6-12(2)18(15,16)10-7-9(8-17-10)11(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyFLHPBZPBHQIJRS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds7

About 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid

5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 113437786) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID113437786
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESC=CCCCN(C)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H15NO4S2/c1-3-4-5-6-12(2)18(15,16)10-7-9(8-17-10)11(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyFLHPBZPBHQIJRS-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
4-bromo-3-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654987
2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104654990
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 63236674
2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654967
5-[(3-hydroxyphenyl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid
CID 60951080
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64512983
2-chloro-3-fluoro-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654996

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid (CID 113437786) is 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid is C=CCCCN(C)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is FLHPBZPBHQIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-3-4-5-6-12(2)18(15,16)10-7-9(8-17-10)11(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14).
What are the key properties of 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 113437786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).