5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid

C10H11N3O4S2 — CID 64510074

IUPAC5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H11N3O4S2/c1-13(5-8-11-2-3-12-8)19(16,17)9-4-7(6-18-9)10(14)15/h2-4,6H,5H2,1H3,(H,11,12)(H,14,15)
InChIKeyMSVUPUSKGZWTDN-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.99
Rot. Bonds5

About 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid

5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 64510074) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID64510074
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H11N3O4S2/c1-13(5-8-11-2-3-12-8)19(16,17)9-4-7(6-18-9)10(14)15/h2-4,6H,5H2,1H3,(H,11,12)(H,14,15)
InChIKeyMSVUPUSKGZWTDN-UHFFFAOYSA-N
XLogP0.99
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid (CID 64510074) is 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid is CN(Cc1ncc[nH]1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is MSVUPUSKGZWTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-13(5-8-11-2-3-12-8)19(16,17)9-4-7(6-18-9)10(14)15/h2-4,6H,5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 64510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).