5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid

C11H13N3O4S2 — CID 60681316

IUPAC5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H13N3O4S2/c1-13-5-8(4-12-13)6-14(2)20(17,18)10-3-9(7-19-10)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyMJAXOUCAWLMXCD-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds5

About 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid

5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 60681316) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID60681316
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H13N3O4S2/c1-13-5-8(4-12-13)6-14(2)20(17,18)10-3-9(7-19-10)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyMJAXOUCAWLMXCD-UHFFFAOYSA-N
XLogP1.00
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-hydroxyphenyl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid
CID 60951080
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60949550
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
4-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid
CID 43323466
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
CID 131920454

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (CID 60681316) is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid is CN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is MJAXOUCAWLMXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-13-5-8(4-12-13)6-14(2)20(17,18)10-3-9(7-19-10)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 60681316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).