4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

C11H13N3O4S2 — CID 61063163

IUPAC4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1nccn1C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-13-4-3-12-10(13)6-14(2)20(17,18)8-5-9(11(15)16)19-7-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHSMQKNHWKBRXKN-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds5

About 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61063163) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61063163
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1nccn1C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-13-4-3-12-10(13)6-14(2)20(17,18)8-5-9(11(15)16)19-7-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHSMQKNHWKBRXKN-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

4-[(4-chloro-1-methylpyrrol-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 154787107
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
4-[(1-methylimidazol-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79149430
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
3-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61138433
2-(chloromethyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 102750644
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (CID 61063163) is 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is CN(Cc1nccn1C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HSMQKNHWKBRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-13-4-3-12-10(13)6-14(2)20(17,18)8-5-9(11(15)16)19-7-8/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-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 4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61063163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).