tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one

C207H328F16N8O45S24 — CID 157371710

About tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one

tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one (PubChem CID 157371710) has the molecular formula C207H328F16N8O45S24 and a molecular weight of 4722.49 g/mol. Its IUPAC name is tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one.

Molecular Properties

• Compound Name: tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
• PubChem CID: 157371710
• Molecular Formula: C207H328F16N8O45S24
• Molecular Weight: 4722.49 g/mol
• Exact Mass: 4717.67
• IUPAC Name: tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC1(C)C2CCC1(CS(=O)(=O)NC(F)(F)SOO[O-])C(=O)C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCc1ccccc1)C(F)(F)SOO[O-].[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/C24H25S.C20H29OS.C18H23OS.C16H25OS.3C12H19F2NO5S2.C11H17F2NO6S2.3C10H17F2NO5S2.C10H15OS.C8H9F2NO5S2.3C6H6S.16CH4/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;3*13-12(14,21-20-19-16)22(17,18)15-7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-9(2)7-3-4-10(9,8(15)5-7)6-22(17,18)14-11(12,13)21-20-19-16;3*11-10(12,19-18-17-14)20(15,16)13-7-3-5-8-4-1-2-6-9(8)13;11-9-5-1-2-6-10(9)12-7-3-4-8-12;9-8(10,17-16-15-12)18(13,14)11-6-7-4-2-1-3-5-7;3*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;3*8-10,15-16H,1-7H2;7,14,16H,3-6H2,1-2H3;3*8-9,14H,1-7H2;1,5,10H,2-4,6-8H2;1-5,11-12H,6H2;3*1-5,7H;16*1H4/q4*+1;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;/p-5
• InChIKey: BJVNHMNTNCVVBM-UHFFFAOYSA-I
• XLogP: 45.91
• TPSA: 752.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 73
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4722.49
LogP ≤ 5	45.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?

The IUPAC name of tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one (CID 157371710) is tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one.

What is the SMILES notation for tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?

The canonical SMILES for tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC1(C)C2CCC1(CS(=O)(=O)NC(F)(F)SOO[O-])C(=O)C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(N1CCCC2CCCCC21)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=S(=O)(NCc1ccccc1)C(F)(F)SOO[O-].[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?

The InChIKey is BJVNHMNTNCVVBM-UHFFFAOYSA-I. The full InChI is InChI=1S/C24H25S.C20H29OS.C18H23OS.C16H25OS.3C12H19F2NO5S2.C11H17F2NO6S2.3C10H17F2NO5S2.C10H15OS.C8H9F2NO5S2.3C6H6S.16CH4/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;3*13-12(14,21-20-19-16)22(17,18)15-7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-9(2)7-3-4-10(9,8(15)5-7)6-22(17,18)14-11(12,13)21-20-19-16;3*11-10(12,19-18-17-14)20(15,16)13-7-3-5-8-4-1-2-6-9(8)13;11-9-5-1-2-6-10(9)12-7-3-4-8-12;9-8(10,17-16-15-12)18(13,14)11-6-7-4-2-1-3-5-7;3*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;3*8-10,15-16H,1-7H2;7,14,16H,3-6H2,1-2H3;3*8-9,14H,1-7H2;1,5,10H,2-4,6-8H2;1-5,11-12H,6H2;3*1-5,7H;16*1H4/q4*+1;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;/p-5.

What are the key properties of tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?

tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one has a molecular weight of 4722.49 g/mol, XLogP of 45.91, 73 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for tris(N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide);N-benzyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;N-[difluoro(oxidoperoxysulfanyl)methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide;tris(1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline);methane;phenylsulfanium;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 157371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).