2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide

C161H251N19O13S4 — CID 157129738

IUPAC2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C13H23N3O2S.C12H15N.C12H14O/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);4-8,13H,1-3H3;4-8H,1-3H3/t;15-;;2*14-;;;;;;/m.1.10....../s1
InChIKeyAIXPPTUKQFNZSA-NPKATHKVSA-N
MW2789.17 g/mol
LogP30.79
Rot. Bonds28

About 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide

2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide (PubChem CID 157129738) has the molecular formula C161H251N19O13S4 and a molecular weight of 2789.17 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
PubChem CID157129738
Molecular FormulaC161H251N19O13S4
Molecular Weight2789.17 g/mol
Exact Mass2786.84
IUPAC Name2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
SMILESCC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C13H23N3O2S.C12H15N.C12H14O/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);4-8,13H,1-3H3;4-8H,1-3H3/t;15-;;2*14-;;;;;;/m.1.10....../s1
InChIKeyAIXPPTUKQFNZSA-NPKATHKVSA-N
XLogP30.79
TPSA353.70 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002789.17
LogP ≤ 530.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 160832623
4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-[2-[4-[6-morpholin-4-yl-12-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1H-indol-7-yl]morpholin-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123940642
4-(1H-indol-4-yl)-6-[2-[4-[6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1H-indol-7-yl]morpholin-4-yl]-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138496170
4-(1H-indol-4-yl)-12-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]-6-[2-[4-[6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1H-indol-7-yl]morpholin-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144902029
5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one
CID 157162007
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
CID 157162047
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;5-(2-ethylsulfonylethyl)-3-(1-methylpiperidin-4-yl)-1H-indole;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 157271244
4-[[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylpropan-1-amine;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1,1-dioxide;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;sulfur dioxide
CID 157402943
N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,3-dimethyl-4-[[5-[3-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2-oxo-1H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157435782
3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157451828

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide (CID 157129738) is 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide is CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1.
What is the InChIKey of 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is AIXPPTUKQFNZSA-NPKATHKVSA-N. The full InChI is InChI=1S/C17H28N2.C17H25NO.C16H26N2O.2C16H25NO2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C13H23N3O2S.C12H15N.C12H14O/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;2*1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;2*5-7,11,14H,8-10,12H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);4-8,13H,1-3H3;4-8H,1-3H3/t;15-;;2*14-;;;;;;/m.1.10....../s1.
What are the key properties of 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide?
2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 2789.17 g/mol, XLogP of 30.79, 28 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157129738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).