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

C19H26N4O3S — CID 100665343

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

4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (PubChem CID 100665343) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• PubChem CID: 100665343
• Molecular Formula: C19H26N4O3S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.17
• IUPAC Name: 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
• SMILES: Cc1c(C(=O)NC[C@H]2CN(C)CCO2)sc2nc3n(c(=O)c12)CCCCC3
• InChI: InChI=1S/C19H26N4O3S/c1-12-15-18(21-14-6-4-3-5-7-23(14)19(15)25)27-16(12)17(24)20-10-13-11-22(2)8-9-26-13/h13H,3-11H2,1-2H3,(H,20,24)/t13-/m0/s1
• InChIKey: XLPHRCLZJHTYNH-ZDUSSCGKSA-N
• XLogP: 1.55
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (CID 100665343) is 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

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

The canonical SMILES for 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is Cc1c(C(=O)NC[C@H]2CN(C)CCO2)sc2nc3n(c(=O)c12)CCCCC3.

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

The InChIKey is XLPHRCLZJHTYNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-15-18(21-14-6-4-3-5-7-23(14)19(15)25)27-16(12)17(24)20-10-13-11-22(2)8-9-26-13/h13H,3-11H2,1-2H3,(H,20,24)/t13-/m0/s1.

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

4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 100665343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).