[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C19H25N3O5S — CID 55419795

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55419795) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

• Compound Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• PubChem CID: 55419795
• Molecular Formula: C19H25N3O5S
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.15
• IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
• SMILES: CC(OC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C(=O)NCc1cccs1
• InChI: InChI=1S/C19H25N3O5S/c1-12-6-3-4-8-19(12)17(25)22(18(26)21-19)11-15(23)27-13(2)16(24)20-10-14-7-5-9-28-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,20,24)(H,21,26)
• InChIKey: DTHGQFKFRJRQOG-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55419795) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC(OC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C(=O)NCc1cccs1.

What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

The InChIKey is DTHGQFKFRJRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-6-3-4-8-19(12)17(25)22(18(26)21-19)11-15(23)27-13(2)16(24)20-10-14-7-5-9-28-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,20,24)(H,21,26).

What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 407.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55419795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).