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

C153H236F3N3O18S8 — CID 157053781

IUPAC6-[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
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc3c2CCCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C25H41NO3S.C23H37NO3S.2C22H34O2S.C21H32O4S.C20H29F3O2S.C20H29NO2S2/c1-5-21(4)30(27,28)18-24-10-8-22(9-11-24)6-7-23-12-14-25(15-13-23)26-16-19(2)29-20(3)17-26;1-5-18(4)28(26,27)16-21-13-10-19(11-14-21)9-12-20-7-6-8-22(15-20)23(25)24-17(2)3;1-17(2)25(23,24)16-19-12-10-18(11-13-19)14-15-21-8-5-7-20-6-3-4-9-22(20)21;1-3-17(2)25(23,24)16-20-11-8-18(9-12-20)7-10-19-13-14-21-5-4-6-22(21)15-19;1-3-16(2)26(22,23)15-19-8-5-17(6-9-19)4-7-18-10-11-20-21(14-18)25-13-12-24-20;1-3-15(2)26(24,25)14-18-8-6-16(7-9-18)4-5-17-10-12-19(13-11-17)20(21,22)23;1-3-15(2)25(22,23)13-18-8-5-16(6-9-18)4-7-17-10-11-19-20(12-17)24-14-21-19/h12-15,19-22,24H,5-11,16-18H2,1-4H3;6-8,15,17-19,21H,5,9-14,16H2,1-4H3,(H,24,25);5,7-8,17-19H,3-4,6,9-16H2,1-2H3;13-15,17-18,20H,3-12,16H2,1-2H3;10-11,14,16-17,19H,3-9,12-13,15H2,1-2H3;10-13,15-16,18H,3-9,14H2,1-2H3;10-12,14-16,18H,3-9,13H2,1-2H3/t19-,20+,21?,22?,24?;;;;;;
InChIKeyAAMWWWXURVQDBK-YATRDIAISA-N
MW2719.10 g/mol
LogP35.60
Rot. Bonds51

About 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

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 (PubChem CID 157053781) has the molecular formula C153H236F3N3O18S8 and a molecular weight of 2719.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID157053781
Molecular FormulaC153H236F3N3O18S8
Molecular Weight2719.10 g/mol
Exact Mass2716.54
IUPAC Name6-[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
SMILESCC(C)S(=O)(=O)CC1CCC(CCc2cccc3c2CCCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C25H41NO3S.C23H37NO3S.2C22H34O2S.C21H32O4S.C20H29F3O2S.C20H29NO2S2/c1-5-21(4)30(27,28)18-24-10-8-22(9-11-24)6-7-23-12-14-25(15-13-23)26-16-19(2)29-20(3)17-26;1-5-18(4)28(26,27)16-21-13-10-19(11-14-21)9-12-20-7-6-8-22(15-20)23(25)24-17(2)3;1-17(2)25(23,24)16-19-12-10-18(11-13-19)14-15-21-8-5-7-20-6-3-4-9-22(20)21;1-3-17(2)25(23,24)16-20-11-8-18(9-12-20)7-10-19-13-14-21-5-4-6-22(21)15-19;1-3-16(2)26(22,23)15-19-8-5-17(6-9-19)4-7-18-10-11-20-21(14-18)25-13-12-24-20;1-3-15(2)26(24,25)14-18-8-6-16(7-9-18)4-5-17-10-12-19(13-11-17)20(21,22)23;1-3-15(2)25(22,23)13-18-8-5-16(6-9-18)4-7-17-10-11-19-20(12-17)24-14-21-19/h12-15,19-22,24H,5-11,16-18H2,1-4H3;6-8,15,17-19,21H,5,9-14,16H2,1-4H3,(H,24,25);5,7-8,17-19H,3-4,6,9-16H2,1-2H3;13-15,17-18,20H,3-12,16H2,1-2H3;10-11,14,16-17,19H,3-9,12-13,15H2,1-2H3;10-13,15-16,18H,3-9,14H2,1-2H3;10-12,14-16,18H,3-9,13H2,1-2H3/t19-,20+,21?,22?,24?;;;;;;
InChIKeyAAMWWWXURVQDBK-YATRDIAISA-N
XLogP35.60
TPSA311.90 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds51
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.10
LogP ≤ 535.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-(4,7-dimethyl-1,3-benzothiazol-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylsulfonylamino)benzamide;N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 158483740
(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
3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide
CID 158574212
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)S(=O)(=O)CC1CCC(CCc2cccc3c2CCCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)OCCO3)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CCC(C)S(=O)(=O)CC1CCC(CCc2cccc(C(=O)NC(C)C)c2)CC1.
What is the InChIKey of 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?
The InChIKey is AAMWWWXURVQDBK-YATRDIAISA-N. The full InChI is InChI=1S/C25H41NO3S.C23H37NO3S.2C22H34O2S.C21H32O4S.C20H29F3O2S.C20H29NO2S2/c1-5-21(4)30(27,28)18-24-10-8-22(9-11-24)6-7-23-12-14-25(15-13-23)26-16-19(2)29-20(3)17-26;1-5-18(4)28(26,27)16-21-13-10-19(11-14-21)9-12-20-7-6-8-22(15-20)23(25)24-17(2)3;1-17(2)25(23,24)16-19-12-10-18(11-13-19)14-15-21-8-5-7-20-6-3-4-9-22(20)21;1-3-17(2)25(23,24)16-20-11-8-18(9-12-20)7-10-19-13-14-21-5-4-6-22(21)15-19;1-3-16(2)26(22,23)15-19-8-5-17(6-9-19)4-7-18-10-11-20-21(14-18)25-13-12-24-20;1-3-15(2)26(24,25)14-18-8-6-16(7-9-18)4-5-17-10-12-19(13-11-17)20(21,22)23;1-3-15(2)25(22,23)13-18-8-5-16(6-9-18)4-7-17-10-11-19-20(12-17)24-14-21-19/h12-15,19-22,24H,5-11,16-18H2,1-4H3;6-8,15,17-19,21H,5,9-14,16H2,1-4H3,(H,24,25);5,7-8,17-19H,3-4,6,9-16H2,1-2H3;13-15,17-18,20H,3-12,16H2,1-2H3;10-11,14,16-17,19H,3-9,12-13,15H2,1-2H3;10-13,15-16,18H,3-9,14H2,1-2H3;10-12,14-16,18H,3-9,13H2,1-2H3/t19-,20+,21?,22?,24?;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2719.10 g/mol, XLogP of 35.60, 51 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157053781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).