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

C14H22N2O4S2 — CID 56748559

IUPAC2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C14H22N2O4S2/c1-3-7-16(8-4-2)22(19,20)14-12(13(17)18)10-5-6-15-9-11(10)21-14/h15H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGOIMWDFLWQALO-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.90
Rot. Bonds7

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

2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56748559) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56748559
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C14H22N2O4S2/c1-3-7-16(8-4-2)22(19,20)14-12(13(17)18)10-5-6-15-9-11(10)21-14/h15H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGOIMWDFLWQALO-UHFFFAOYSA-N
XLogP1.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56748559) is 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is CCCN(CCC)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2.
What is the InChIKey of 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is OGOIMWDFLWQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-7-16(8-4-2)22(19,20)14-12(13(17)18)10-5-6-15-9-11(10)21-14/h15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56748559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).