3-methyl-1-phenothiazin-10-ylbutan-2-one

C17H17NOS — CID 79395572

IUPAC3-methyl-1-phenothiazin-10-ylbutan-2-one
SMILESCC(C)C(=O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H17NOS/c1-12(2)15(19)11-18-13-7-3-5-9-16(13)20-17-10-6-4-8-14(17)18/h3-10,12H,11H2,1-2H3
InChIKeyCUCSAOXCSXXYNF-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.51
Rot. Bonds3

About 3-methyl-1-phenothiazin-10-ylbutan-2-one

3-methyl-1-phenothiazin-10-ylbutan-2-one (PubChem CID 79395572) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-methyl-1-phenothiazin-10-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-phenothiazin-10-ylbutan-2-one
PubChem CID79395572
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-methyl-1-phenothiazin-10-ylbutan-2-one
SMILESCC(C)C(=O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H17NOS/c1-12(2)15(19)11-18-13-7-3-5-9-16(13)20-17-10-6-4-8-14(17)18/h3-10,12H,11H2,1-2H3
InChIKeyCUCSAOXCSXXYNF-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenothiazin-10-ylacetate
CID 6988018
potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate
CID 167811693
1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
2-methylidene-4-phenothiazin-10-yl-3-(phenothiazin-10-ylmethyl)butanoic acid
CID 174190428
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
10-(3-methylbutan-2-yl)phenothiazine
CID 153119553
3-(diethylamino)-2-methyl-1-phenothiazin-10-ylbutan-1-one
CID 3029960
2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
dimethyl-[(2S)-1-phenothiazin-10-ylpropan-2-yl]azanium;dimethyl-[(2R)-1-phenothiazin-10-ylpropan-2-yl]azanium;hexanedioic acid;dichloride
CID 139062866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenothiazin-10-ylbutan-2-one?
The IUPAC name of 3-methyl-1-phenothiazin-10-ylbutan-2-one (CID 79395572) is 3-methyl-1-phenothiazin-10-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-phenothiazin-10-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-phenothiazin-10-ylbutan-2-one is CC(C)C(=O)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 3-methyl-1-phenothiazin-10-ylbutan-2-one?
The InChIKey is CUCSAOXCSXXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12(2)15(19)11-18-13-7-3-5-9-16(13)20-17-10-6-4-8-14(17)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-methyl-1-phenothiazin-10-ylbutan-2-one?
3-methyl-1-phenothiazin-10-ylbutan-2-one has a molecular weight of 283.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenothiazin-10-ylbutan-2-one is sourced from PubChem (CID 79395572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).