1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

C20H24N4OS — CID 1374035

About 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (PubChem CID 1374035) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
• PubChem CID: 1374035
• Molecular Formula: C20H24N4OS
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.17
• IUPAC Name: 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
• SMILES: Cc1cc2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc12
• InChI: InChI=1S/C20H24N4OS/c1-13-11-16-9-4-5-10-17(16)24-19(13)21-22-20(24)26-12-18(25)23-14(2)7-6-8-15(23)3/h4-5,9-11,14-15H,6-8,12H2,1-3H3/t14-,15+
• InChIKey: SUXXNJBESWCQBU-GASCZTMLSA-N
• XLogP: 4.07
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?

The IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (CID 1374035) is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?

The canonical SMILES for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is Cc1cc2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc12.

What is the InChIKey of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?

The InChIKey is SUXXNJBESWCQBU-GASCZTMLSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13-11-16-9-4-5-10-17(16)24-19(13)21-22-20(24)26-12-18(25)23-14(2)7-6-8-15(23)3/h4-5,9-11,14-15H,6-8,12H2,1-3H3/t14-,15+.

What are the key properties of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone has a molecular weight of 368.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is sourced from PubChem (CID 1374035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).