N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

C19H27N3O2S — CID 55733399

About N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (PubChem CID 55733399) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

• Compound Name: N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• PubChem CID: 55733399
• Molecular Formula: C19H27N3O2S
• Molecular Weight: 361.51 g/mol
• Exact Mass: 361.18
• IUPAC Name: N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• SMILES: CCC(CC)N(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3
• InChI: InChI=1S/C19H27N3O2S/c1-5-13(6-2)21(4)19(24)16-12(3)15-17(25-16)20-14-10-8-7-9-11-22(14)18(15)23/h13H,5-11H2,1-4H3
• InChIKey: SOPOARRKCPAXSE-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.51
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The IUPAC name of N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (CID 55733399) is N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

What is the SMILES notation for N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The canonical SMILES for N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is CCC(CC)N(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3.

What is the InChIKey of N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

The InChIKey is SOPOARRKCPAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-5-13(6-2)21(4)19(24)16-12(3)15-17(25-16)20-14-10-8-7-9-11-22(14)18(15)23/h13H,5-11H2,1-4H3.

What are the key properties of N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?

N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-2-oxo-N-pentan-3-yl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 55733399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).