bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate

C65H87F7N3O18S10+ — CID 158039109

IUPACbis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate
SMILESCC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CCCCS(=O)(=O)N1CC[S+](c2ccc(OC)c3ccccc23)CC1.COc1ccc([S+]2CCS(=O)(=O)CC2)c2ccccc12.COc1ccc([S+]2CCS(=O)CC2)c2ccccc12.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C19H26NO3S2.C15H17O3S2.C15H17O2S2.C12H18F4O2.C2H3F3NO4S2.C2H6NO4S2/c1-3-4-15-25(21,22)20-11-13-24(14-12-20)19-10-9-18(23-2)16-7-5-6-8-17(16)19;1-18-14-6-7-15(13-5-3-2-4-12(13)14)19-8-10-20(16,17)11-9-19;1-17-14-6-7-15(13-5-3-2-4-12(13)14)18-8-10-19(16)11-9-18;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h5-10H,3-4,11-15H2,1-2H3;2-7H,8-11H2,1H3;2-7H,8-11H2,1H3;9H,2-8H2,1H3;1H3;1-2H3/q3*+1;;2*-1
InChIKeyFIDAZWGOFMZGAY-UHFFFAOYSA-N
MW1652.07 g/mol
LogP11.35
Rot. Bonds19

About bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate

bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate (PubChem CID 158039109) has the molecular formula C65H87F7N3O18S10+ and a molecular weight of 1652.07 g/mol. Its IUPAC name is bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate.

Molecular Properties

Compound Namebis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate
PubChem CID158039109
Molecular FormulaC65H87F7N3O18S10+
Molecular Weight1652.07 g/mol
Exact Mass1650.31
IUPAC Namebis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate
SMILESCC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CCCCS(=O)(=O)N1CC[S+](c2ccc(OC)c3ccccc23)CC1.COc1ccc([S+]2CCS(=O)(=O)CC2)c2ccccc12.COc1ccc([S+]2CCS(=O)CC2)c2ccccc12.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C19H26NO3S2.C15H17O3S2.C15H17O2S2.C12H18F4O2.C2H3F3NO4S2.C2H6NO4S2/c1-3-4-15-25(21,22)20-11-13-24(14-12-20)19-10-9-18(23-2)16-7-5-6-8-17(16)19;1-18-14-6-7-15(13-5-3-2-4-12(13)14)19-8-10-20(16,17)11-9-19;1-17-14-6-7-15(13-5-3-2-4-12(13)14)18-8-10-19(16)11-9-18;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h5-10H,3-4,11-15H2,1-2H3;2-7H,8-11H2,1H3;2-7H,8-11H2,1H3;9H,2-8H2,1H3;1H3;1-2H3/q3*+1;;2*-1
InChIKeyFIDAZWGOFMZGAY-UHFFFAOYSA-N
XLogP11.35
TPSA307.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.07
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;6-(1-adamantyl)-1,1,2,2-tetrafluorohexane-1-sulfonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1,1-difluoro-2-oxo-2-(2-undecanoyloxyethoxy)ethanesulfonate;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 157080837
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)
CID 157130212
Bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis(2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate);2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thian-1-ium;1-(4-tert-butylphenyl)thian-1-ium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;1-naphthalen-1-ylthian-1-ium
CID 157141932
Tris(2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;bis(1-adamantylmethylsulfamoyl(difluoro)methanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;tris(1-(4-butoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;triphenylsulfanium
CID 157374135
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-methylsulfonylazanide;2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1-adamantylmethyl 2,2-difluoropropanoate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;5-phenyldibenzothiophen-5-ium;triphenylsulfanium
CID 157499862
1-(4-Methoxynaphthalen-1-yl)-1,4-dithian-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane
CID 157614765
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium
CID 157728133
2-(Adamantane-1-carbonyloxy)-1,1,1,3,3,3-hexafluoropropane-2-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)
CID 157990279
(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;tris(2,2-difluoropropyl adamantane-1-carboxylate);3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;bis(triphenylsulfanium)
CID 158038060
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;bis(2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;4-methylbenzenesulfonate;tris(triphenylsulfanium)
CID 158102371
4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)
CID 158477547
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;1,1,3,3,3-pentafluoro-2-(4-phenylbutanoyloxy)propane-1-sulfonate;bis(triphenylsulfanium)
CID 158622025

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate?
The IUPAC name of bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate (CID 158039109) is bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate.
What is the SMILES notation for bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate?
The canonical SMILES for bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate is CC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CCCCS(=O)(=O)N1CC[S+](c2ccc(OC)c3ccccc23)CC1.COc1ccc([S+]2CCS(=O)(=O)CC2)c2ccccc12.COc1ccc([S+]2CCS(=O)CC2)c2ccccc12.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(C)(=O)=O.
What is the InChIKey of bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate?
The InChIKey is FIDAZWGOFMZGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3S2.C15H17O3S2.C15H17O2S2.C12H18F4O2.C2H3F3NO4S2.C2H6NO4S2/c1-3-4-15-25(21,22)20-11-13-24(14-12-20)19-10-9-18(23-2)16-7-5-6-8-17(16)19;1-18-14-6-7-15(13-5-3-2-4-12(13)14)19-8-10-20(16,17)11-9-19;1-17-14-6-7-15(13-5-3-2-4-12(13)14)18-8-10-19(16)11-9-18;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h5-10H,3-4,11-15H2,1-2H3;2-7H,8-11H2,1H3;2-7H,8-11H2,1H3;9H,2-8H2,1H3;1H3;1-2H3/q3*+1;;2*-1.
What are the key properties of bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate?
bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate has a molecular weight of 1652.07 g/mol, XLogP of 11.35, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate is sourced from PubChem (CID 158039109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).