3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid

C10H14N2O5S2 — CID 83005623

IUPAC3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O5S2/c1-7-6-8(18-9(7)10(13)14)19(15,16)11-12-2-4-17-5-3-12/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyIIIYMRDYBUVARC-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.28
Rot. Bonds4

About 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 83005623) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID83005623
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O5S2/c1-7-6-8(18-9(7)10(13)14)19(15,16)11-12-2-4-17-5-3-12/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyIIIYMRDYBUVARC-UHFFFAOYSA-N
XLogP0.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid (CID 83005623) is 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NN2CCOCC2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is IIIYMRDYBUVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-7-6-8(18-9(7)10(13)14)19(15,16)11-12-2-4-17-5-3-12/h6,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83005623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).