5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid

C9H11NO4S2 — CID 114615365

IUPAC5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
SMILESC=C(C)CNS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H11NO4S2/c1-6(2)5-10-16(13,14)8-4-3-7(15-8)9(11)12/h3-4,10H,1,5H2,2H3,(H,11,12)
InChIKeyAPBKUJRZKWWOIP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds5

About 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid

5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 114615365) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID114615365
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
SMILESC=C(C)CNS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H11NO4S2/c1-6(2)5-10-16(13,14)8-4-3-7(15-8)9(11)12/h3-4,10H,1,5H2,2H3,(H,11,12)
InChIKeyAPBKUJRZKWWOIP-UHFFFAOYSA-N
XLogP1.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488
5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027894
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027668
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid (CID 114615365) is 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid is C=C(C)CNS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is APBKUJRZKWWOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-6(2)5-10-16(13,14)8-4-3-7(15-8)9(11)12/h3-4,10H,1,5H2,2H3,(H,11,12).
What are the key properties of 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid?
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114615365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).