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

C19H25N3O2S — CID 53298919

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

N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 53298919) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 53298919
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC(C)N1C(=O)c2cc3sccc3n2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C19H25N3O2S/c1-12(2)22-17(23)15-10-16-14(8-9-25-16)21(15)11-19(22,3)18(24)20-13-6-4-5-7-13/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,24)
• InChIKey: LXVPAZQUYGAODW-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 53298919) is N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-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-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC(C)N1C(=O)c2cc3sccc3n2CC1(C)C(=O)NC1CCCC1.

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

The InChIKey is LXVPAZQUYGAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12(2)22-17(23)15-10-16-14(8-9-25-16)21(15)11-19(22,3)18(24)20-13-6-4-5-7-13/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,24).

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

N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 53298919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).