3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid

C13H18N2O4S2 — CID 112732174

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C13H18N2O4S2/c16-13(17)12-11(4-7-20-12)21(18,19)14-9-3-6-15-5-1-2-10(15)8-9/h4,7,9-10,14H,1-3,5-6,8H2,(H,16,17)
InChIKeyQYTOZXLJGOGCPE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.35
Rot. Bonds4

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 112732174) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID112732174
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C13H18N2O4S2/c16-13(17)12-11(4-7-20-12)21(18,19)14-9-3-6-15-5-1-2-10(15)8-9/h4,7,9-10,14H,1-3,5-6,8H2,(H,16,17)
InChIKeyQYTOZXLJGOGCPE-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid (CID 112732174) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NC1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QYTOZXLJGOGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-13(17)12-11(4-7-20-12)21(18,19)14-9-3-6-15-5-1-2-10(15)8-9/h4,7,9-10,14H,1-3,5-6,8H2,(H,16,17).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 112732174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).