(3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid

C16H15F3N2O3S — CID 99718237

About (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 99718237) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
• PubChem CID: 99718237
• Molecular Formula: C16H15F3N2O3S
• Molecular Weight: 372.37 g/mol
• Exact Mass: 372.08
• IUPAC Name: (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
• SMILES: Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C16H15F3N2O3S/c1-8-10-4-5-11(16(17,18)19)20-13(10)25-12(8)14(22)21-6-2-3-9(7-21)15(23)24/h4-5,9H,2-3,6-7H2,1H3,(H,23,24)/t9-/m0/s1
• InChIKey: QHKDREJBVWDUCR-VIFPVBQESA-N
• XLogP: 3.56
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.37
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The IUPAC name of (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid (CID 99718237) is (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid is Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The InChIKey is QHKDREJBVWDUCR-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-8-10-4-5-11(16(17,18)19)20-13(10)25-12(8)14(22)21-6-2-3-9(7-21)15(23)24/h4-5,9H,2-3,6-7H2,1H3,(H,23,24)/t9-/m0/s1.

What are the key properties of (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

(3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 372.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99718237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).