3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid

C13H14N2O4S2 — CID 114698528

IUPAC3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-8-5-11(20-12(8)13(16)17)21(18,19)15-7-10-3-4-14-6-9(10)2/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyWCRVFDUCZVDSFK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.94
Rot. Bonds5

About 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114698528) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID114698528
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-8-5-11(20-12(8)13(16)17)21(18,19)15-7-10-3-4-14-6-9(10)2/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyWCRVFDUCZVDSFK-UHFFFAOYSA-N
XLogP1.94
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43616094
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61003991
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 114698528) is 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1cnccc1CNS(=O)(=O)c1cc(C)c(C(=O)O)s1.
What is the InChIKey of 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WCRVFDUCZVDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-8-5-11(20-12(8)13(16)17)21(18,19)15-7-10-3-4-14-6-9(10)2/h3-6,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114698528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).