2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone

C₁₇H₁₈N₂O₂S — CID 3215288

About 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone

2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone (PubChem CID 3215288) has the molecular formula C₁₇H₁₈N₂O₂S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone.

Molecular Properties

• Compound Name: 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone
• PubChem CID: 3215288
• Molecular Formula: C₁₇H₁₈N₂O₂S
• Molecular Weight: 314.41 g/mol
• Exact Mass: 314.11
• IUPAC Name: 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone
• SMILES: COCCNCC(=O)N1c2ccccc2Sc2ccccc21
• InChI: InChI=1S/C17H18N2O2S/c1-21-11-10-18-12-17(20)19-13-6-2-4-8-15(13)22-16-9-5-3-7-14(16)19/h2-9,18H,10-12H2,1H3
• InChIKey: FEYWEWJXAKTNJQ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.41
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone?

The IUPAC name of 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone (CID 3215288) is 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone.

What is the SMILES notation for 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone?

The canonical SMILES for 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone is COCCNCC(=O)N1c2ccccc2Sc2ccccc21.

What is the InChIKey of 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone?

The InChIKey is FEYWEWJXAKTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-11-10-18-12-17(20)19-13-6-2-4-8-15(13)22-16-9-5-3-7-14(16)19/h2-9,18H,10-12H2,1H3.

What are the key properties of 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone?

2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone has a molecular weight of 314.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 3215288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3215288 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.