4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C12H14N2O4S2 — CID 106390612

IUPAC4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H14N2O4S2/c1-8-7-19-10(12(15)16)11(8)20(17,18)13-5-9-3-4-14(2)6-9/h3-4,6-7,13H,5H2,1-2H3,(H,15,16)
InChIKeyUJFBBAPQAONHJR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.57
Rot. Bonds5

About 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106390612) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106390612
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCc1ccn(C)c1
InChIInChI=1S/C12H14N2O4S2/c1-8-7-19-10(12(15)16)11(8)20(17,18)13-5-9-3-4-14(2)6-9/h3-4,6-7,13H,5H2,1-2H3,(H,15,16)
InChIKeyUJFBBAPQAONHJR-UHFFFAOYSA-N
XLogP1.57
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748617
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
3-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748133
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
4-methyl-3-(3-methylsulfinylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 102749301
3-bromo-4-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390601
2-bromo-5-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390616
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
3-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106305301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106390612) is 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCc1ccn(C)c1.
What is the InChIKey of 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UJFBBAPQAONHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c1-8-7-19-10(12(15)16)11(8)20(17,18)13-5-9-3-4-14(2)6-9/h3-4,6-7,13H,5H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106390612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).