2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C16H19N3O4S2 — CID 95209934

About 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 95209934) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
• PubChem CID: 95209934
• Molecular Formula: C16H19N3O4S2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.08
• IUPAC Name: 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
• SMILES: CC[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2)c1cccnc1
• InChI: InChI=1S/C16H19N3O4S2/c1-2-12(10-4-3-6-17-8-10)19-25(22,23)16-14(15(20)21)11-5-7-18-9-13(11)24-16/h3-4,6,8,12,18-19H,2,5,7,9H2,1H3,(H,20,21)/t12-/m1/s1
• InChIKey: DHBFHGKYCLSDDX-GFCCVEGCSA-N
• XLogP: 1.92
• TPSA: 108.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 95209934) is 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is CC[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2)c1cccnc1.

What is the InChIKey of 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?

The InChIKey is DHBFHGKYCLSDDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-2-12(10-4-3-6-17-8-10)19-25(22,23)16-14(15(20)21)11-5-7-18-9-13(11)24-16/h3-4,6,8,12,18-19H,2,5,7,9H2,1H3,(H,20,21)/t12-/m1/s1.

What are the key properties of 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?

2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 381.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-1-pyridin-3-ylpropyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95209934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).