3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C173H218F22N4O28S13 — CID 157237487

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESCC(=O)c1ccc2c([S+]3CCCC3)c(OC3CCCCCC3)ccc2c1.CC(C)(C)C1CCC(Oc2cc(OC3CCC(C(C)(C)C)CC3)c3ccccc3c2[S+]2CCCC2)CC1.CC(Oc1ccc2ccccc2c1[S+]1CCCC1)C1CC1.O=C(CC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC2CCCCC21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C34H51O2S.C33H31OS.C23H29O2S.C19H23OS.C17H25S.C13H18F2O4S.2C12H17F6NO5S2.C7H11F2NO4S.C3F6NO4S2/c1-33(2,3)24-13-17-26(18-14-24)35-30-23-31(36-27-19-15-25(16-20-27)34(4,5)6)32(37-21-9-10-22-37)29-12-8-7-11-28(29)30;1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-17(24)18-10-12-21-19(16-18)11-13-22(23(21)26-14-6-7-15-26)25-20-8-4-2-3-5-9-20;1-14(15-8-9-15)20-18-11-10-16-6-2-3-7-17(16)19(18)21-12-4-5-13-21;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-13(15,20(17,18)19)11(16)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-7-3-5-8-4-1-2-6-9(8)19;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h7-8,11-12,23-27H,9-10,13-22H2,1-6H3;4-7,10-23,25H,1-3,8-9,24H2;10-13,16,20H,2-9,14-15H2,1H3;2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3;8-11,15H,1-7,12-14H2;8-10H,1-7H2,(H,17,18,19);2*8-9H,1-7H2,(H,22,23,24);1-5H2,(H,12,13,14);/q5*+1;;;;;-1/p-4
InChIKeyAUURVBDCEFXFLX-UHFFFAOYSA-J
MW3636.47 g/mol
LogP41.73
Rot. Bonds38

About 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 157237487) has the molecular formula C173H218F22N4O28S13 and a molecular weight of 3636.47 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID157237487
Molecular FormulaC173H218F22N4O28S13
Molecular Weight3636.47 g/mol
Exact Mass3633.18
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESCC(=O)c1ccc2c([S+]3CCCC3)c(OC3CCCCCC3)ccc2c1.CC(C)(C)C1CCC(Oc2cc(OC3CCC(C(C)(C)C)CC3)c3ccccc3c2[S+]2CCCC2)CC1.CC(Oc1ccc2ccccc2c1[S+]1CCCC1)C1CC1.O=C(CC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC2CCCCC21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C34H51O2S.C33H31OS.C23H29O2S.C19H23OS.C17H25S.C13H18F2O4S.2C12H17F6NO5S2.C7H11F2NO4S.C3F6NO4S2/c1-33(2,3)24-13-17-26(18-14-24)35-30-23-31(36-27-19-15-25(16-20-27)34(4,5)6)32(37-21-9-10-22-37)29-12-8-7-11-28(29)30;1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-17(24)18-10-12-21-19(16-18)11-13-22(23(21)26-14-6-7-15-26)25-20-8-4-2-3-5-9-20;1-14(15-8-9-15)20-18-11-10-16-6-2-3-7-17(16)19(18)21-12-4-5-13-21;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-13(15,20(17,18)19)11(16)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-7-3-5-8-4-1-2-6-9(8)19;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h7-8,11-12,23-27H,9-10,13-22H2,1-6H3;4-7,10-23,25H,1-3,8-9,24H2;10-13,16,20H,2-9,14-15H2,1H3;2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3;8-11,15H,1-7,12-14H2;8-10H,1-7H2,(H,17,18,19);2*8-9H,1-7H2,(H,22,23,24);1-5H2,(H,12,13,14);/q5*+1;;;;;-1/p-4
InChIKeyAUURVBDCEFXFLX-UHFFFAOYSA-J
XLogP41.73
TPSA486.54 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003636.47
LogP ≤ 541.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 157237487) is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is CC(=O)c1ccc2c([S+]3CCCC3)c(OC3CCCCCC3)ccc2c1.CC(C)(C)C1CCC(Oc2cc(OC3CCC(C(C)(C)C)CC3)c3ccccc3c2[S+]2CCCC2)CC1.CC(Oc1ccc2ccccc2c1[S+]1CCCC1)C1CC1.O=C(CC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC2CCCCC21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1cc([S+]2CCCC2)ccc1CC1CCCCC1.c1ccc2cc([S+](c3ccc(OCC4CCCCC4)cc3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is AUURVBDCEFXFLX-UHFFFAOYSA-J. The full InChI is InChI=1S/C34H51O2S.C33H31OS.C23H29O2S.C19H23OS.C17H25S.C13H18F2O4S.2C12H17F6NO5S2.C7H11F2NO4S.C3F6NO4S2/c1-33(2,3)24-13-17-26(18-14-24)35-30-23-31(36-27-19-15-25(16-20-27)34(4,5)6)32(37-21-9-10-22-37)29-12-8-7-11-28(29)30;1-2-8-25(9-3-1)24-34-30-16-20-31(21-17-30)35(32-18-14-26-10-4-6-12-28(26)22-32)33-19-15-27-11-5-7-13-29(27)23-33;1-17(24)18-10-12-21-19(16-18)11-13-22(23(21)26-14-6-7-15-26)25-20-8-4-2-3-5-9-20;1-14(15-8-9-15)20-18-11-10-16-6-2-3-7-17(16)19(18)21-12-4-5-13-21;1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18;14-13(15,20(17,18)19)11(16)7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-7-3-5-8-4-1-2-6-9(8)19;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h7-8,11-12,23-27H,9-10,13-22H2,1-6H3;4-7,10-23,25H,1-3,8-9,24H2;10-13,16,20H,2-9,14-15H2,1H3;2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3;8-11,15H,1-7,12-14H2;8-10H,1-7H2,(H,17,18,19);2*8-9H,1-7H2,(H,22,23,24);1-5H2,(H,12,13,14);/q5*+1;;;;;-1/p-4.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 3636.47 g/mol, XLogP of 41.73, 38 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantyl)-1,1-difluoro-2-oxopropane-1-sulfonate;1-[2,4-bis[(4-tert-butylcyclohexyl)oxy]naphthalen-1-yl]thiolan-1-ium;1-[6-cycloheptyloxy-5-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;[4-(cyclohexylmethoxy)phenyl]-dinaphthalen-2-ylsulfanium;1-[4-(cyclohexylmethyl)phenyl]thiolan-1-ium;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 157237487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).