5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene

C154H234F6N2O17S9 — CID 158810014

IUPAC5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ccsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(F)(F)F)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C27H45NO3S.C24H38O2S.C22H34O4S.C21H31F3O2S.C21H31NO2S2.C20H28O2S2.C19H27F3O2S/c1-5-6-7-23(4)32(29,30)20-26-12-10-24(11-13-26)8-9-25-14-16-27(17-15-25)28-18-21(2)31-22(3)19-28;1-3-4-6-19(2)27(25,26)18-22-13-10-20(11-14-22)9-12-21-15-16-23-7-5-8-24(23)17-21;1-3-4-17(2)27(23,24)16-20-9-6-18(7-10-20)5-8-19-11-12-21-22(15-19)26-14-13-25-21;1-4-20(2,3)27(25,26)15-18-9-7-16(8-10-18)5-6-17-11-13-19(14-12-17)21(22,23)24;1-3-4-16(2)26(23,24)14-19-9-6-17(7-10-19)5-8-18-11-12-20-21(13-18)25-15-22-20;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-19-11-12-23-20(19)13-17;1-14(2)25(23,24)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20,21)22/h14-17,21-24,26H,5-13,18-20H2,1-4H3;15-17,19-20,22H,3-14,18H2,1-2H3;11-12,15,17-18,20H,3-10,13-14,16H2,1-2H3;11-14,16,18H,4-10,15H2,1-3H3;11-13,15-17,19H,3-10,14H2,1-2H3;9-13,15-16,18H,3-8,14H2,1-2H3;3-5,12,14-15,17H,6-11,13H2,1-2H3/t21-,22+,23?,24?,26?;;;;;;
InChIKeyIUOGDXFIYNIINY-LFQTUMSHSA-N
MW2788.15 g/mol
LogP39.16
Rot. Bonds54

About 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene

5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene (PubChem CID 158810014) has the molecular formula C154H234F6N2O17S9 and a molecular weight of 2788.15 g/mol. Its IUPAC name is 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
PubChem CID158810014
Molecular FormulaC154H234F6N2O17S9
Molecular Weight2788.15 g/mol
Exact Mass2785.49
IUPAC Name5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ccsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(F)(F)F)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C27H45NO3S.C24H38O2S.C22H34O4S.C21H31F3O2S.C21H31NO2S2.C20H28O2S2.C19H27F3O2S/c1-5-6-7-23(4)32(29,30)20-26-12-10-24(11-13-26)8-9-25-14-16-27(17-15-25)28-18-21(2)31-22(3)19-28;1-3-4-6-19(2)27(25,26)18-22-13-10-20(11-14-22)9-12-21-15-16-23-7-5-8-24(23)17-21;1-3-4-17(2)27(23,24)16-20-9-6-18(7-10-20)5-8-19-11-12-21-22(15-19)26-14-13-25-21;1-4-20(2,3)27(25,26)15-18-9-7-16(8-10-18)5-6-17-11-13-19(14-12-17)21(22,23)24;1-3-4-16(2)26(23,24)14-19-9-6-17(7-10-19)5-8-18-11-12-20-21(13-18)25-15-22-20;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-19-11-12-23-20(19)13-17;1-14(2)25(23,24)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20,21)22/h14-17,21-24,26H,5-13,18-20H2,1-4H3;15-17,19-20,22H,3-14,18H2,1-2H3;11-12,15,17-18,20H,3-10,13-14,16H2,1-2H3;11-14,16,18H,4-10,15H2,1-3H3;11-13,15-17,19H,3-10,14H2,1-2H3;9-13,15-16,18H,3-8,14H2,1-2H3;3-5,12,14-15,17H,6-11,13H2,1-2H3/t21-,22+,23?,24?,26?;;;;;;
InChIKeyIUOGDXFIYNIINY-LFQTUMSHSA-N
XLogP39.16
TPSA282.80 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds54
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002788.15
LogP ≤ 539.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

6-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,2,3,4-tetrahydronaphthalene
CID 157053781
6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 157110256
6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 157143636
2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 157293036
1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one
CID 158069059
6-(7-tert-butylsulfonylheptyl)-7-methyl-1,3-benzothiazole;6-(7-tert-butylsulfonylheptyl)-5-methyl-2,3-dihydro-1,4-benzodioxine;5-(7-tert-butylsulfonylheptyl)-4-methyl-2,3-dihydro-1H-indene;3-(7-tert-butylsulfonylheptyl)-2-methyl-N-propan-2-ylbenzamide;1-(7-tert-butylsulfonylheptyl)-2-methyl-4-(trifluoromethyl)benzene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,3,6-trimethylmorpholine;5-(7-tert-butylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 158115980
1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-dimethyl-4-(trifluoromethyl)benzene;4,7-dimethyl-6-[2-(4-methylphenyl)ethyl]-1,3-benzothiazole;(2R,6S)-4-[2,5-dimethyl-4-[2-(4-methylphenyl)ethyl]phenyl]-2,3,6-trimethylmorpholine;7-methyl-6-[2-(4-methylphenyl)ethyl]-1-benzothiophene;3-methyl-6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;hexakis(2-methylpropane-2-sulfinate);1-methyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene;1,2,3-trimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene
CID 158171962
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4,7-dimethyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 158426769
4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
CID 158442745
(2R,6S)-4-(4-heptyl-2,3-dimethylphenyl)-2,6-dimethylmorpholine;3-heptyl-2-methyl-N-propan-2-ylbenzamide;(2R,6S)-4-(4-heptylphenyl)-2,3,6-trimethylmorpholine;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;4-methyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;2-methyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;tris(propane-2-sulfinate);5-(7-propan-2-ylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 158525877
6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-methyl-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-8-methyl-1,2,3,4-tetrahydronaphthalene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-2,3,6-trimethylmorpholine
CID 158604306
2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 159017533

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene (CID 158810014) is 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene is CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ccsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(F)(F)F)c2)CC1.CCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCCCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene?
The InChIKey is IUOGDXFIYNIINY-LFQTUMSHSA-N. The full InChI is InChI=1S/C27H45NO3S.C24H38O2S.C22H34O4S.C21H31F3O2S.C21H31NO2S2.C20H28O2S2.C19H27F3O2S/c1-5-6-7-23(4)32(29,30)20-26-12-10-24(11-13-26)8-9-25-14-16-27(17-15-25)28-18-21(2)31-22(3)19-28;1-3-4-6-19(2)27(25,26)18-22-13-10-20(11-14-22)9-12-21-15-16-23-7-5-8-24(23)17-21;1-3-4-17(2)27(23,24)16-20-9-6-18(7-10-20)5-8-19-11-12-21-22(15-19)26-14-13-25-21;1-4-20(2,3)27(25,26)15-18-9-7-16(8-10-18)5-6-17-11-13-19(14-12-17)21(22,23)24;1-3-4-16(2)26(23,24)14-19-9-6-17(7-10-19)5-8-18-11-12-20-21(13-18)25-15-22-20;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-19-11-12-23-20(19)13-17;1-14(2)25(23,24)13-17-10-7-15(8-11-17)6-9-16-4-3-5-18(12-16)19(20,21)22/h14-17,21-24,26H,5-13,18-20H2,1-4H3;15-17,19-20,22H,3-14,18H2,1-2H3;11-12,15,17-18,20H,3-10,13-14,16H2,1-2H3;11-14,16,18H,4-10,15H2,1-3H3;11-13,15-17,19H,3-10,14H2,1-2H3;9-13,15-16,18H,3-8,14H2,1-2H3;3-5,12,14-15,17H,6-11,13H2,1-2H3/t21-,22+,23?,24?,26?;;;;;;.
What are the key properties of 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene?
5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene has a molecular weight of 2788.15 g/mol, XLogP of 39.16, 54 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158810014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).