5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid

C11H13NO5S2 — CID 80715544

IUPAC5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C11H13NO5S2/c13-11(14)6-3-10(18-5-6)19(15,16)12-8-4-7-1-2-9(8)17-7/h3,5,7-9,12H,1-2,4H2,(H,13,14)
InChIKeyINEJETCIRRMLJU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.04
Rot. Bonds4

About 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid

5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 80715544) has the molecular formula C11H13NO5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID80715544
Molecular FormulaC11H13NO5S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C11H13NO5S2/c13-11(14)6-3-10(18-5-6)19(15,16)12-8-4-7-1-2-9(8)17-7/h3,5,7-9,12H,1-2,4H2,(H,13,14)
InChIKeyINEJETCIRRMLJU-UHFFFAOYSA-N
XLogP1.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid (CID 80715544) is 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NC2CC3CCC2O3)c1.
What is the InChIKey of 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is INEJETCIRRMLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S2/c13-11(14)6-3-10(18-5-6)19(15,16)12-8-4-7-1-2-9(8)17-7/h3,5,7-9,12H,1-2,4H2,(H,13,14).
What are the key properties of 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 80715544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).