1-(3-methylsulfinylphenothiazin-10-yl)ethanone

C15H13NO2S2 — CID 154392088

IUPAC1-(3-methylsulfinylphenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccccc2Sc2cc(S(C)=O)ccc21
InChIInChI=1S/C15H13NO2S2/c1-10(17)16-12-5-3-4-6-14(12)19-15-9-11(20(2)18)7-8-13(15)16/h3-9H,1-2H3
InChIKeyPRPQIMLXASUJHB-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.57
Rot. Bonds1

About 1-(3-methylsulfinylphenothiazin-10-yl)ethanone

1-(3-methylsulfinylphenothiazin-10-yl)ethanone (PubChem CID 154392088) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-methylsulfinylphenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylsulfinylphenothiazin-10-yl)ethanone
PubChem CID154392088
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name1-(3-methylsulfinylphenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccccc2Sc2cc(S(C)=O)ccc21
InChIInChI=1S/C15H13NO2S2/c1-10(17)16-12-5-3-4-6-14(12)19-15-9-11(20(2)18)7-8-13(15)16/h3-9H,1-2H3
InChIKeyPRPQIMLXASUJHB-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(12,13-dimethyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-16-yl)ethanone
CID 11794003
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
azane;1-(3,7-diaminophenothiazin-10-yl)ethanone
CID 67214426
3-propanoylphenothiazine-10-carboxylic acid
CID 154096158
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820
N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
CID 15918618
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
methyl 10-carbonochloridoylphenothiazine-3-carboxylate
CID 154117249
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
(3-isocyanophenothiazin-10-yl)-(4-methylphenyl)methanone
CID 163811658
[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
CID 9119323

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfinylphenothiazin-10-yl)ethanone?
The IUPAC name of 1-(3-methylsulfinylphenothiazin-10-yl)ethanone (CID 154392088) is 1-(3-methylsulfinylphenothiazin-10-yl)ethanone.
What is the SMILES notation for 1-(3-methylsulfinylphenothiazin-10-yl)ethanone?
The canonical SMILES for 1-(3-methylsulfinylphenothiazin-10-yl)ethanone is CC(=O)N1c2ccccc2Sc2cc(S(C)=O)ccc21.
What is the InChIKey of 1-(3-methylsulfinylphenothiazin-10-yl)ethanone?
The InChIKey is PRPQIMLXASUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-10(17)16-12-5-3-4-6-14(12)19-15-9-11(20(2)18)7-8-13(15)16/h3-9H,1-2H3.
What are the key properties of 1-(3-methylsulfinylphenothiazin-10-yl)ethanone?
1-(3-methylsulfinylphenothiazin-10-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfinylphenothiazin-10-yl)ethanone is sourced from PubChem (CID 154392088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).