4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)

C162H213F4N35O28S8 — CID 157069018

IUPAC4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)
SMILESC.Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ccc(N2CCNCC2=O)cc1.Cc1ccc(N2CCNCC2=O)cc1F.Cc1ccc(N2CCNCC2=O)cn1.Cc1ccc(N2CCOCC2=O)cc1.Cc1ccc(N2CCOCC2=O)cc1F.Cc1ccc(N2CCOCC2=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCNCC2=O)cn1.Cc1ncc(N2CCOCC2=O)cn1
InChIInChI=1S/C11H13FN2O.C11H14FNO2S.C11H12FNO2.C11H14N2O.C11H15NO2S.C11H13NO2.C10H13FN2O2S.C10H13N3O.2C10H14N2O2S.C10H12N2O2.C9H12N4O.3C9H13N3O2S.C9H11N3O2.CH4/c1-8-2-3-9(6-10(8)12)14-5-4-13-7-11(14)15;1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-8-2-3-9(6-10(8)12)13-4-5-15-7-11(13)14;1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-9-2-4-10(5-3-9)12-6-7-14-8-11(12)13;1-8-3-4-9(7-10(8)11)13-6-2-5-12-16(13,14)15;1-8-2-3-9(6-12-8)13-5-4-11-7-10(13)14;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-2-3-9(6-11-8)12-4-5-14-7-10(12)13;1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-8-3-4-9(7-10-8)12-6-2-5-11-15(12,13)14;2*1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-10-4-8(5-11-7)12-2-3-14-6-9(12)13;/h2-3,6,13H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;2-5,12H,6-8H2,1H3;4-7H,2-3,8-9H2,1H3;2-5H,6-8H2,1H3;3-4,7,12H,2,5-6H2,1H3;2-3,6,11H,4-5,7H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,2-3,6H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*6-7H,2-5H2,1H3;4-5H,2-3,6H2,1H3;1H4
InChIKeyACFBJAVUMUDNDW-UHFFFAOYSA-N
MW3431.23 g/mol
LogP15.83
Rot. Bonds16

About 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)

4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) (PubChem CID 157069018) has the molecular formula C162H213F4N35O28S8 and a molecular weight of 3431.23 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide).

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)
PubChem CID157069018
Molecular FormulaC162H213F4N35O28S8
Molecular Weight3431.23 g/mol
Exact Mass3428.40
IUPAC Name4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)
SMILESC.Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ccc(N2CCNCC2=O)cc1.Cc1ccc(N2CCNCC2=O)cc1F.Cc1ccc(N2CCNCC2=O)cn1.Cc1ccc(N2CCOCC2=O)cc1.Cc1ccc(N2CCOCC2=O)cc1F.Cc1ccc(N2CCOCC2=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCNCC2=O)cn1.Cc1ncc(N2CCOCC2=O)cn1
InChIInChI=1S/C11H13FN2O.C11H14FNO2S.C11H12FNO2.C11H14N2O.C11H15NO2S.C11H13NO2.C10H13FN2O2S.C10H13N3O.2C10H14N2O2S.C10H12N2O2.C9H12N4O.3C9H13N3O2S.C9H11N3O2.CH4/c1-8-2-3-9(6-10(8)12)14-5-4-13-7-11(14)15;1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-8-2-3-9(6-10(8)12)13-4-5-15-7-11(13)14;1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-9-2-4-10(5-3-9)12-6-7-14-8-11(12)13;1-8-3-4-9(7-10(8)11)13-6-2-5-12-16(13,14)15;1-8-2-3-9(6-12-8)13-5-4-11-7-10(13)14;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-2-3-9(6-11-8)12-4-5-14-7-10(12)13;1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-8-3-4-9(7-10-8)12-6-2-5-11-15(12,13)14;2*1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-10-4-8(5-11-7)12-2-3-14-6-9(12)13;/h2-3,6,13H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;2-5,12H,6-8H2,1H3;4-7H,2-3,8-9H2,1H3;2-5H,6-8H2,1H3;3-4,7,12H,2,5-6H2,1H3;2-3,6,11H,4-5,7H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,2-3,6H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*6-7H,2-5H2,1H3;4-5H,2-3,6H2,1H3;1H4
InChIKeyACFBJAVUMUDNDW-UHFFFAOYSA-N
XLogP15.83
TPSA737.33 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds16
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003431.23
LogP ≤ 515.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) with MolForge

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Related Compounds

7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158797625
4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 158903026
(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
CID 159741839
4-(3-Fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;1-(3-fluoro-4-methylphenyl)pyrazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)pyrazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)pyrazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;1-(2-methylpyrimidin-5-yl)pyrazin-2-one;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
CID 157090352
2-(cyclohexylamino)-N-(3-fluoro-4-methylphenyl)-N-methylacetamide;2-(dimethylamino)-N-(3-fluoro-4-methylphenyl)-N-methylacetamide;2-(dimethylamino)-N-methyl-N-(4-methylphenyl)acetamide;2-(dimethylamino)-N-methyl-N-(6-methyl-3-pyridinyl)acetamide;2-(dimethylamino)-N-methyl-N-(2-methylpyrimidin-5-yl)acetamide;N-(3-fluoro-4-methylphenyl)-N-methyl-2-(propan-2-ylamino)acetamide;N-methyl-N-(4-methylphenyl)-2-(propan-2-ylamino)acetamide;N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide;N-methyl-N-(2-methylpyrimidin-5-yl)-2-(propan-2-ylamino)acetamide
CID 157241201
2-(3-Fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
CID 157271675
1-(3-Fluoro-4-methylphenyl)-4-methylpiperazin-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;3-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one;4-methyl-1-(4-methylphenyl)piperazin-2-one;4-methyl-1-(6-methyl-3-pyridinyl)piperazin-2-one;4-methyl-1-(2-methylpyrimidin-5-yl)piperazin-2-one;4-(4-methylphenyl)morpholin-3-one;3-(4-methylphenyl)-1,3-oxazinan-2-one;4-(6-methyl-3-pyridinyl)morpholin-3-one;3-(6-methyl-3-pyridinyl)-1,3-oxazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;3-(2-methylpyrimidin-5-yl)-1,3-oxazinan-2-one
CID 157547179
N-(2-aminoethyl)-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-4-(4-propan-2-ylphenyl)piperidine-1-sulfonamide;3-fluoro-5-propan-2-ylpyridin-2-amine;N-(4-propan-2-ylphenyl)cyclopropanesulfonamide;4-(4-propan-2-ylphenyl)piperidine;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]ethanone;4-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;5-propan-2-ylpyridin-3-amine;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157550632
1-(3-Fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
CID 157630474
1-(3-Fluoro-4-methylphenyl)-1,3-diazinan-2-one;4-(3-fluoro-4-methylphenyl)-3-methylidenemorpholine;1-(3-fluoro-4-methylphenyl)piperazin-2-one;3-methylidene-4-(2-methylpyrimidin-5-yl)morpholine;1-(4-methylphenyl)-1,3-diazinan-2-one;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;1-(6-methyl-3-pyridinyl)-1,3-diazinan-2-one;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;1-(2-methylpyrimidin-5-yl)-1,3-diazinan-2-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;dihydrate
CID 157661870
2-(cyclohexylamino)-N-(3-fluoro-4-methylphenyl)-N-methylacetamide;2-(cyclohexylamino)-N-methyl-N-(6-methyl-3-pyridinyl)acetamide;2-(cyclohexylamino)-N-methyl-N-(2-methylpyrimidin-5-yl)acetamide;N-(3-fluoro-4-methylphenyl)-N-methyl-2-(propan-2-ylamino)acetamide;N-methyl-N-(4-methylphenyl)-2-(propan-2-ylamino)acetamide;N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide;N-methyl-N-(2-methylpyrimidin-5-yl)-2-(propan-2-ylamino)acetamide
CID 158015508
1-(3-Fluoro-4-methylphenyl)-1,3-diazinane;4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;1-(3-fluoro-4-methylphenyl)piperidine;1-(4-methylphenyl)-1,3-diazinane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;1-(4-methylphenyl)piperidine;2-methyl-5-piperidin-1-ylpyridine;2-methyl-5-piperidin-1-ylpyrimidine;1-(6-methyl-3-pyridinyl)-1,3-diazinane;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one
CID 158071294

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) (CID 157069018) is 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide).
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) is C.Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ccc(N2CCNCC2=O)cc1.Cc1ccc(N2CCNCC2=O)cc1F.Cc1ccc(N2CCNCC2=O)cn1.Cc1ccc(N2CCOCC2=O)cc1.Cc1ccc(N2CCOCC2=O)cc1F.Cc1ccc(N2CCOCC2=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCNCC2=O)cn1.Cc1ncc(N2CCOCC2=O)cn1.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)?
The InChIKey is ACFBJAVUMUDNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O.C11H14FNO2S.C11H12FNO2.C11H14N2O.C11H15NO2S.C11H13NO2.C10H13FN2O2S.C10H13N3O.2C10H14N2O2S.C10H12N2O2.C9H12N4O.3C9H13N3O2S.C9H11N3O2.CH4/c1-8-2-3-9(6-10(8)12)14-5-4-13-7-11(14)15;1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-8-2-3-9(6-10(8)12)13-4-5-15-7-11(13)14;1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-9-2-4-10(5-3-9)12-6-7-14-8-11(12)13;1-8-3-4-9(7-10(8)11)13-6-2-5-12-16(13,14)15;1-8-2-3-9(6-12-8)13-5-4-11-7-10(13)14;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-2-3-9(6-11-8)12-4-5-14-7-10(12)13;1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-8-3-4-9(7-10-8)12-6-2-5-11-15(12,13)14;2*1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-10-4-8(5-11-7)12-2-3-14-6-9(12)13;/h2-3,6,13H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;2-5,12H,6-8H2,1H3;4-7H,2-3,8-9H2,1H3;2-5H,6-8H2,1H3;3-4,7,12H,2,5-6H2,1H3;2-3,6,11H,4-5,7H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;2-3,6H,4-5,7H2,1H3;4-5,10H,2-3,6H2,1H3;3-4,7,11H,2,5-6H2,1H3;2*6-7H,2-5H2,1H3;4-5H,2-3,6H2,1H3;1H4.
What are the key properties of 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide)?
4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) has a molecular weight of 3431.23 g/mol, XLogP of 15.83, 16 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)morpholin-3-one;1-(3-fluoro-4-methylphenyl)piperazin-2-one;2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;methane;4-(4-methylphenyl)morpholin-3-one;1-(4-methylphenyl)piperazin-2-one;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;4-(6-methyl-3-pyridinyl)morpholin-3-one;1-(6-methyl-3-pyridinyl)piperazin-2-one;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;4-(2-methylpyrimidin-5-yl)morpholin-3-one;1-(2-methylpyrimidin-5-yl)piperazin-2-one;bis(2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide) is sourced from PubChem (CID 157069018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).