2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C12H16N2O5S2 — CID 56740313

IUPAC2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NC2CCOC2)sc2c1CCNC2
InChIInChI=1S/C12H16N2O5S2/c15-11(16)10-8-1-3-13-5-9(8)20-12(10)21(17,18)14-7-2-4-19-6-7/h7,13-14H,1-6H2,(H,15,16)
InChIKeyGKTQNQPQZAWZGL-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.16
Rot. Bonds4

About 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56740313) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56740313
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NC2CCOC2)sc2c1CCNC2
InChIInChI=1S/C12H16N2O5S2/c15-11(16)10-8-1-3-13-5-9(8)20-12(10)21(17,18)14-7-2-4-19-6-7/h7,13-14H,1-6H2,(H,15,16)
InChIKeyGKTQNQPQZAWZGL-UHFFFAOYSA-N
XLogP0.16
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56740313) is 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(S(=O)(=O)NC2CCOC2)sc2c1CCNC2.
What is the InChIKey of 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is GKTQNQPQZAWZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c15-11(16)10-8-1-3-13-5-9(8)20-12(10)21(17,18)14-7-2-4-19-6-7/h7,13-14H,1-6H2,(H,15,16).
What are the key properties of 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56740313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).