N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane

C188H328F6N10O33S7 — CID 158848246

IUPACN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane
SMILESC#CC(=O)C(C)C.C/C=C/C(=O)C(C)C.C/C=C/C(=O)CC(C)C.C/C=C/S(=O)(=O)C(C)C.C=CC(=O)C(C)C.C=CC(=O)N(CCC)C(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NCC(C)C.C=CC(=O)NCCC(C)C.C=CS(=O)(=O)C(C)C.C=CS(=O)(=O)NC(C)(C)C.C=CS(=O)(=O)NCC(C)(C)C.C=CS(=O)(=O)NCCC(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(=O)C(C)C.CC(=O)C(C)C.CC(C)(C)C(=O)/C(C#N)=C/c1cncs1.CC(C)(C)C(=O)/C=C/CCO.CC(C)(C)C(=O)C1=CCCC1.CC(C)(C)C(=O)C1=CCCCC1.CC(C)/C=C(\C#N)C(=O)C(C)(C)C.CC(C)C(=O)C(F)(F)F.CC(C)S(=O)(=O)C(F)(F)F.CC/C=C/C(=O)C(C)C.CC/C=C/C(=O)CC(C)C
InChIInChI=1S/C11H12N2OS.C11H17NO.C11H18O.C10H19NO.C10H16O.C9H14O2.C9H16O2.C9H16O.C8H17NO2S.C8H15NO.2C8H14O.C7H15NO2S.2C7H13NO.C7H12O.C6H13NO2S.C6H12O2S.C6H10O.C6H8O.C5H7F3O.C5H10O2S.2C5H10O.C4H7F3O2S/c1-11(2,3)10(14)8(5-12)4-9-6-13-7-15-9;1-8(2)6-9(7-12)10(13)11(3,4)5;1-11(2,3)10(12)9-7-5-4-6-8-9;1-6-8-11(9(12)7-2)10(3,4)5;1-10(2,3)9(11)8-6-4-5-7-8;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(11)6-4-5-7-10;1-4-5-6-9(10)7-8(2)3;1-5-12(10,11)9-7-6-8(2,3)4;1-4-8(10)9-6-5-7(2)3;1-4-5-8(9)6-7(2)3;1-4-5-6-8(9)7(2)3;1-5-11(9,10)8-6-7(2,3)4;1-5-6(9)8-7(2,3)4;1-4-7(9)8-5-6(2)3;1-4-5-7(8)6(2)3;1-5-10(8,9)7-6(2,3)4;1-4-5-9(7,8)6(2)3;2*1-4-6(7)5(2)3;1-3(2)4(9)5(6,7)8;1-4-8(6,7)5(2)3;2*1-4(2)5(3)6;1-3(2)10(8,9)4(5,6)7/h4,6-7H,1-3H3;6,8H,1-5H3;7H,4-6,8H2,1-3H3;7H,2,6,8H2,1,3-5H3;6H,4-5,7H2,1-3H3;5-6H,1-4H3;4,6,10H,5,7H2,1-3H3;5-6,8H,4,7H2,1-3H3;5,9H,1,6-7H2,2-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5,8H,1,6H2,2-4H3;5H,1H2,2-4H3,(H,8,9);4,6H,1,5H2,2-3H3,(H,8,9);4-6H,1-3H3;5,7H,1H2,2-4H3;4-6H,1-3H3;4-5H,1H2,2-3H3;1,5H,2-3H3;3H,1-2H3;4-5H,1H2,2-3H3;2*4H,1-3H3;3H,1-2H3/b8-4+;9-6+;;;;6-5+;6-4+;6-5+;;;5-4+;6-5+;;;;5-4+;;5-4+;;;;;;;
InChIKeyIZCPDZAYPLGDAV-OGMRZFQXSA-N
MW3595.19 g/mol
LogP42.29
Rot. Bonds54

About N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane

N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane (PubChem CID 158848246) has the molecular formula C188H328F6N10O33S7 and a molecular weight of 3595.19 g/mol. Its IUPAC name is N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane.

Molecular Properties

Compound NameN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane
PubChem CID158848246
Molecular FormulaC188H328F6N10O33S7
Molecular Weight3595.19 g/mol
Exact Mass3592.22
IUPAC NameN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane
SMILESC#CC(=O)C(C)C.C/C=C/C(=O)C(C)C.C/C=C/C(=O)CC(C)C.C/C=C/S(=O)(=O)C(C)C.C=CC(=O)C(C)C.C=CC(=O)N(CCC)C(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NCC(C)C.C=CC(=O)NCCC(C)C.C=CS(=O)(=O)C(C)C.C=CS(=O)(=O)NC(C)(C)C.C=CS(=O)(=O)NCC(C)(C)C.C=CS(=O)(=O)NCCC(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(=O)C(C)C.CC(=O)C(C)C.CC(C)(C)C(=O)/C(C#N)=C/c1cncs1.CC(C)(C)C(=O)/C=C/CCO.CC(C)(C)C(=O)C1=CCCC1.CC(C)(C)C(=O)C1=CCCCC1.CC(C)/C=C(\C#N)C(=O)C(C)(C)C.CC(C)C(=O)C(F)(F)F.CC(C)S(=O)(=O)C(F)(F)F.CC/C=C/C(=O)C(C)C.CC/C=C/C(=O)CC(C)C
InChIInChI=1S/C11H12N2OS.C11H17NO.C11H18O.C10H19NO.C10H16O.C9H14O2.C9H16O2.C9H16O.C8H17NO2S.C8H15NO.2C8H14O.C7H15NO2S.2C7H13NO.C7H12O.C6H13NO2S.C6H12O2S.C6H10O.C6H8O.C5H7F3O.C5H10O2S.2C5H10O.C4H7F3O2S/c1-11(2,3)10(14)8(5-12)4-9-6-13-7-15-9;1-8(2)6-9(7-12)10(13)11(3,4)5;1-11(2,3)10(12)9-7-5-4-6-8-9;1-6-8-11(9(12)7-2)10(3,4)5;1-10(2,3)9(11)8-6-4-5-7-8;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(11)6-4-5-7-10;1-4-5-6-9(10)7-8(2)3;1-5-12(10,11)9-7-6-8(2,3)4;1-4-8(10)9-6-5-7(2)3;1-4-5-8(9)6-7(2)3;1-4-5-6-8(9)7(2)3;1-5-11(9,10)8-6-7(2,3)4;1-5-6(9)8-7(2,3)4;1-4-7(9)8-5-6(2)3;1-4-5-7(8)6(2)3;1-5-10(8,9)7-6(2,3)4;1-4-5-9(7,8)6(2)3;2*1-4-6(7)5(2)3;1-3(2)4(9)5(6,7)8;1-4-8(6,7)5(2)3;2*1-4(2)5(3)6;1-3(2)10(8,9)4(5,6)7/h4,6-7H,1-3H3;6,8H,1-5H3;7H,4-6,8H2,1-3H3;7H,2,6,8H2,1,3-5H3;6H,4-5,7H2,1-3H3;5-6H,1-4H3;4,6,10H,5,7H2,1-3H3;5-6,8H,4,7H2,1-3H3;5,9H,1,6-7H2,2-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5,8H,1,6H2,2-4H3;5H,1H2,2-4H3,(H,8,9);4,6H,1,5H2,2-3H3,(H,8,9);4-6H,1-3H3;5,7H,1H2,2-4H3;4-6H,1-3H3;4-5H,1H2,2-3H3;1,5H,2-3H3;3H,1-2H3;4-5H,1H2,2-3H3;2*4H,1-3H3;3H,1-2H3/b8-4+;9-6+;;;;6-5+;6-4+;6-5+;;;5-4+;6-5+;;;;5-4+;;5-4+;;;;;;;
InChIKeyIZCPDZAYPLGDAV-OGMRZFQXSA-N
XLogP42.29
TPSA702.36 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds54
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003595.19
LogP ≤ 542.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane?
The IUPAC name of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane (CID 158848246) is N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane.
What is the SMILES notation for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane?
The canonical SMILES for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane is C#CC(=O)C(C)C.C/C=C/C(=O)C(C)C.C/C=C/C(=O)CC(C)C.C/C=C/S(=O)(=O)C(C)C.C=CC(=O)C(C)C.C=CC(=O)N(CCC)C(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NCC(C)C.C=CC(=O)NCCC(C)C.C=CS(=O)(=O)C(C)C.C=CS(=O)(=O)NC(C)(C)C.C=CS(=O)(=O)NCC(C)(C)C.C=CS(=O)(=O)NCCC(C)(C)C.CC(=O)/C=C/C(=O)C(C)(C)C.CC(=O)C(C)C.CC(=O)C(C)C.CC(C)(C)C(=O)/C(C#N)=C/c1cncs1.CC(C)(C)C(=O)/C=C/CCO.CC(C)(C)C(=O)C1=CCCC1.CC(C)(C)C(=O)C1=CCCCC1.CC(C)/C=C(\C#N)C(=O)C(C)(C)C.CC(C)C(=O)C(F)(F)F.CC(C)S(=O)(=O)C(F)(F)F.CC/C=C/C(=O)C(C)C.CC/C=C/C(=O)CC(C)C.
What is the InChIKey of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane?
The InChIKey is IZCPDZAYPLGDAV-OGMRZFQXSA-N. The full InChI is InChI=1S/C11H12N2OS.C11H17NO.C11H18O.C10H19NO.C10H16O.C9H14O2.C9H16O2.C9H16O.C8H17NO2S.C8H15NO.2C8H14O.C7H15NO2S.2C7H13NO.C7H12O.C6H13NO2S.C6H12O2S.C6H10O.C6H8O.C5H7F3O.C5H10O2S.2C5H10O.C4H7F3O2S/c1-11(2,3)10(14)8(5-12)4-9-6-13-7-15-9;1-8(2)6-9(7-12)10(13)11(3,4)5;1-11(2,3)10(12)9-7-5-4-6-8-9;1-6-8-11(9(12)7-2)10(3,4)5;1-10(2,3)9(11)8-6-4-5-7-8;1-7(10)5-6-8(11)9(2,3)4;1-9(2,3)8(11)6-4-5-7-10;1-4-5-6-9(10)7-8(2)3;1-5-12(10,11)9-7-6-8(2,3)4;1-4-8(10)9-6-5-7(2)3;1-4-5-8(9)6-7(2)3;1-4-5-6-8(9)7(2)3;1-5-11(9,10)8-6-7(2,3)4;1-5-6(9)8-7(2,3)4;1-4-7(9)8-5-6(2)3;1-4-5-7(8)6(2)3;1-5-10(8,9)7-6(2,3)4;1-4-5-9(7,8)6(2)3;2*1-4-6(7)5(2)3;1-3(2)4(9)5(6,7)8;1-4-8(6,7)5(2)3;2*1-4(2)5(3)6;1-3(2)10(8,9)4(5,6)7/h4,6-7H,1-3H3;6,8H,1-5H3;7H,4-6,8H2,1-3H3;7H,2,6,8H2,1,3-5H3;6H,4-5,7H2,1-3H3;5-6H,1-4H3;4,6,10H,5,7H2,1-3H3;5-6,8H,4,7H2,1-3H3;5,9H,1,6-7H2,2-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);4-5,7H,6H2,1-3H3;5-7H,4H2,1-3H3;5,8H,1,6H2,2-4H3;5H,1H2,2-4H3,(H,8,9);4,6H,1,5H2,2-3H3,(H,8,9);4-6H,1-3H3;5,7H,1H2,2-4H3;4-6H,1-3H3;4-5H,1H2,2-3H3;1,5H,2-3H3;3H,1-2H3;4-5H,1H2,2-3H3;2*4H,1-3H3;3H,1-2H3/b8-4+;9-6+;;;;6-5+;6-4+;6-5+;;;5-4+;6-5+;;;;5-4+;;5-4+;;;;;;;.
What are the key properties of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane?
N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane has a molecular weight of 3595.19 g/mol, XLogP of 42.29, 54 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide;N-tert-butyl-N-propylprop-2-enamide;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;N-(3,3-dimethylbutyl)ethenesulfonamide;(E)-6,6-dimethylhept-3-ene-2,5-dione;(2E)-4,4-dimethyl-3-oxo-2-(1,3-thiazol-5-ylmethylidene)pentanenitrile;(E)-2-(2,2-dimethylpropanoyl)-4-methylpent-2-enenitrile;N-(2,2-dimethylpropyl)ethenesulfonamide;2-ethenylsulfonylpropane;(E)-7-hydroxy-2,2-dimethylhept-4-en-3-one;bis(3-methylbutan-2-one);N-(3-methylbutyl)prop-2-enamide;(E)-2-methylhept-4-en-3-one;(E)-6-methylhept-2-en-4-one;(E)-2-methylhex-4-en-3-one;(E)-2-methyloct-5-en-4-one;4-methylpent-1-en-3-one;4-methylpent-1-yn-3-one;N-(2-methylpropyl)prop-2-enamide;(E)-1-propan-2-ylsulfonylprop-1-ene;1,1,1-trifluoro-3-methylbutan-2-one;2-(trifluoromethylsulfonyl)propane is sourced from PubChem (CID 158848246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).