3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid

C9H9NO4S2 — CID 43314508

IUPAC3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
SMILESC#CCNS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C9H9NO4S2/c1-3-4-10-16(13,14)7-5-6(2)8(15-7)9(11)12/h1,5,10H,4H2,2H3,(H,11,12)
InChIKeyUGDUNIGQNXFJJH-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds4

About 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43314508) has the molecular formula C9H9NO4S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43314508
Molecular FormulaC9H9NO4S2
Molecular Weight259.31 g/mol
Exact Mass259.00
IUPAC Name3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
SMILESC#CCNS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C9H9NO4S2/c1-3-4-10-16(13,14)7-5-6(2)8(15-7)9(11)12/h1,5,10H,4H2,2H3,(H,11,12)
InChIKeyUGDUNIGQNXFJJH-UHFFFAOYSA-N
XLogP0.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81133871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid (CID 43314508) is 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid is C#CCNS(=O)(=O)c1cc(C)c(C(=O)O)s1.
What is the InChIKey of 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is UGDUNIGQNXFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S2/c1-3-4-10-16(13,14)7-5-6(2)8(15-7)9(11)12/h1,5,10H,4H2,2H3,(H,11,12).
What are the key properties of 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43314508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).