4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

C11H12N2O5S2 — CID 61073778

IUPAC4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H12N2O5S2/c1-7-3-8(12-18-7)5-13(2)20(16,17)9-4-10(11(14)15)19-6-9/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyGALNMGDSINFOIW-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.56
Rot. Bonds5

About 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073778) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073778
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H12N2O5S2/c1-7-3-8(12-18-7)5-13(2)20(16,17)9-4-10(11(14)15)19-6-9/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyGALNMGDSINFOIW-UHFFFAOYSA-N
XLogP1.56
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (CID 61073778) is 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)no1.
What is the InChIKey of 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GALNMGDSINFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-7-3-8(12-18-7)5-13(2)20(16,17)9-4-10(11(14)15)19-6-9/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).