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

C24H35N3O2S2 — CID 92737034

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

(11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737034) has the molecular formula C24H35N3O2S2 and a molecular weight of 461.70 g/mol. Its IUPAC name is (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737034
• Molecular Formula: C24H35N3O2S2
• Molecular Weight: 461.70 g/mol
• Exact Mass: 461.22
• IUPAC Name: (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CCCSCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1
• InChI: InChI=1S/C24H35N3O2S2/c1-4-12-30-13-5-11-27-22(28)20-15-21-19(10-14-31-21)26(20)16-24(27,3)23(29)25-18-8-6-17(2)7-9-18/h10,14-15,17-18H,4-9,11-13,16H2,1-3H3,(H,25,29)/t17?,18?,24-/m1/s1
• InChIKey: OOCSETXRZWTYAS-YOHDVBOVSA-N
• XLogP: 5.15
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.70
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737034) is (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-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)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCCSCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1.

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

The InChIKey is OOCSETXRZWTYAS-YOHDVBOVSA-N. The full InChI is InChI=1S/C24H35N3O2S2/c1-4-12-30-13-5-11-27-22(28)20-15-21-19(10-14-31-21)26(20)16-24(27,3)23(29)25-18-8-6-17(2)7-9-18/h10,14-15,17-18H,4-9,11-13,16H2,1-3H3,(H,25,29)/t17?,18?,24-/m1/s1.

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

(11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 461.70 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92737034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).