4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide

C19H25N3O2S — CID 22520874

About 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide

4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide (PubChem CID 22520874) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
• PubChem CID: 22520874
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
• SMILES: Cc1c(C(=O)NC2CCCCC2C)sc2nc3n(c(=O)c12)CCCC3
• InChI: InChI=1S/C19H25N3O2S/c1-11-7-3-4-8-13(11)20-17(23)16-12(2)15-18(25-16)21-14-9-5-6-10-22(14)19(15)24/h11,13H,3-10H2,1-2H3,(H,20,23)
• InChIKey: YYMMJKNKQZAMSE-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide?

The IUPAC name of 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide (CID 22520874) is 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide.

What is the SMILES notation for 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide?

The canonical SMILES for 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide is Cc1c(C(=O)NC2CCCCC2C)sc2nc3n(c(=O)c12)CCCC3.

What is the InChIKey of 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide?

The InChIKey is YYMMJKNKQZAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11-7-3-4-8-13(11)20-17(23)16-12(2)15-18(25-16)21-14-9-5-6-10-22(14)19(15)24/h11,13H,3-10H2,1-2H3,(H,20,23).

What are the key properties of 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide?

4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(2-methylcyclohexyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 22520874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).