(11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C28H42N4O2S — CID 143131229

About (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 143131229) has the molecular formula C28H42N4O2S and a molecular weight of 498.74 g/mol. Its IUPAC name is (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 143131229
• Molecular Formula: C28H42N4O2S
• Molecular Weight: 498.74 g/mol
• Exact Mass: 498.30
• IUPAC Name: (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC1CCC(NC(=O)[C@@]2(C)Cn3c(cc4sccc43)C(=O)N2CCCN2CC(C)CC(C)C2)CC1
• InChI: InChI=1S/C28H42N4O2S/c1-19-6-8-22(9-7-19)29-27(34)28(4)18-31-23-10-13-35-25(23)15-24(31)26(33)32(28)12-5-11-30-16-20(2)14-21(3)17-30/h10,13,15,19-22H,5-9,11-12,14,16-18H2,1-4H3,(H,29,34)/t19?,20?,21?,22?,28-/m1/s1
• InChIKey: UDAJGGZRKRZXAE-DRVBSTOLSA-N
• XLogP: 4.98
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.74
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 143131229) is (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1CCC(NC(=O)[C@@]2(C)Cn3c(cc4sccc43)C(=O)N2CCCN2CC(C)CC(C)C2)CC1.

What is the InChIKey of (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is UDAJGGZRKRZXAE-DRVBSTOLSA-N. The full InChI is InChI=1S/C28H42N4O2S/c1-19-6-8-22(9-7-19)29-27(34)28(4)18-31-23-10-13-35-25(23)15-24(31)26(33)32(28)12-5-11-30-16-20(2)14-21(3)17-30/h10,13,15,19-22H,5-9,11-12,14,16-18H2,1-4H3,(H,29,34)/t19?,20?,21?,22?,28-/m1/s1.

What are the key properties of (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 498.74 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 143131229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).