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

C17H18N2O2S — CID 3215288

IUPAC2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone
SMILESCOCCNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=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
InChIKeyFEYWEWJXAKTNJQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.05
Rot. Bonds5

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 Name2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone
PubChem CID3215288
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(2-methoxyethylamino)-1-phenothiazin-10-ylethanone
SMILESCOCCNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=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
InChIKeyFEYWEWJXAKTNJQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).