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

C26H38N4O2S — CID 46271468

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

N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 46271468) has the molecular formula C26H38N4O2S and a molecular weight of 470.68 g/mol. Its IUPAC name is N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 46271468
• Molecular Formula: C26H38N4O2S
• Molecular Weight: 470.68 g/mol
• Exact Mass: 470.27
• IUPAC Name: N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC1CCCCN1CCCN1C(=O)c2cc3sccc3n2CC1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C26H38N4O2S/c1-19-9-6-7-13-28(19)14-8-15-30-24(31)22-17-23-21(12-16-33-23)29(22)18-26(30,2)25(32)27-20-10-4-3-5-11-20/h12,16-17,19-20H,3-11,13-15,18H2,1-2H3,(H,27,32)
• InChIKey: OXGIMHWICJGLJT-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.68
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 46271468) is N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-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 N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1CCCCN1CCCN1C(=O)c2cc3sccc3n2CC1(C)C(=O)NC1CCCCC1.

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

The InChIKey is OXGIMHWICJGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2S/c1-19-9-6-7-13-28(19)14-8-15-30-24(31)22-17-23-21(12-16-33-23)29(22)18-26(30,2)25(32)27-20-10-4-3-5-11-20/h12,16-17,19-20H,3-11,13-15,18H2,1-2H3,(H,27,32).

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

N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-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 470.68 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-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 46271468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).