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

C27H40N4O2S — CID 143130647

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

10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 143130647) has the molecular formula C27H40N4O2S and a molecular weight of 484.71 g/mol. Its IUPAC name is 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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: 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 143130647
• Molecular Formula: C27H40N4O2S
• Molecular Weight: 484.71 g/mol
• Exact Mass: 484.29
• IUPAC Name: 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC1CCCCC1NC(=O)C1(C)Cn2c(cc3sccc32)C(=O)N1CCN(C)C1CCCCC1
• InChI: InChI=1S/C27H40N4O2S/c1-19-9-7-8-12-21(19)28-26(33)27(2)18-30-22-13-16-34-24(22)17-23(30)25(32)31(27)15-14-29(3)20-10-5-4-6-11-20/h13,16-17,19-21H,4-12,14-15,18H2,1-3H3,(H,28,33)
• InChIKey: BNWBEGPQNKJDOJ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.71
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 143130647) is 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1CCCCC1NC(=O)C1(C)Cn2c(cc3sccc32)C(=O)N1CCN(C)C1CCCCC1.

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

The InChIKey is BNWBEGPQNKJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2S/c1-19-9-7-8-12-21(19)28-26(33)27(2)18-30-22-13-16-34-24(22)17-23(30)25(32)31(27)15-14-29(3)20-10-5-4-6-11-20/h13,16-17,19-21H,4-12,14-15,18H2,1-3H3,(H,28,33).

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

10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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 484.71 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-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 143130647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).