(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate

C106H135F3N6O50S8 — CID 159663875

IUPAC(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2(C)C(F)(F)F.C=CC(=O)NCC(=O)OC1(C)C2CC3OS(=O)(=O)C1C3C2.C=CC(=O)NCC(=O)OC1C2C3CC1(C)CC3OS2(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(OS(=O)(=O)C31)C2C.C=CC(=O)NCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2
InChIInChI=1S/C15H17F3O7S.C14H18O7S.5C13H17NO6S.C12H15NO6S/c1-6(2)13(20)23-5-9(19)24-11-7-4-8-10(12(11)26(21,22)25-8)14(7,3)15(16,17)18;1-7(2)13(16)19-6-10(15)20-11-8-4-9-12(11)22(17,18)21-14(9,3)5-8;1-3-9(15)14-6-10(16)19-12-11-7-4-13(12,2)5-8(7)20-21(11,17)18;1-3-10(15)14-6-11(16)19-13(2)7-4-8-9(5-7)20-21(17,18)12(8)13;1-3-9(15)14-6-10(16)19-11-7-4-8-13(2,5-7)12(11)21(17,18)20-8;1-3-9(15)14-6-10(16)19-11-7-4-8-12(11)21(17,18)20-13(8,2)5-7;1-3-9(15)14-5-10(16)19-12-7-4-8-11(6(7)2)20-21(17,18)13(8)12;1-2-9(14)13-5-10(15)18-11-6-3-7-8(4-6)19-20(16,17)12(7)11/h7-8,10-12H,1,4-5H2,2-3H3;8-9,11-12H,1,4-6H2,2-3H3;3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,7-9,12H,1,4-6H2,2H3,(H,14,15);2*3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,6-8,11-13H,1,4-5H2,2H3,(H,14,15);2,6-8,11-12H,1,3-5H2,(H,13,14)
InChIKeyMTDQSPPPIPETTR-UHFFFAOYSA-N
MW2606.77 g/mol
LogP-0.29
Rot. Bonds32

About (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate

(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 159663875) has the molecular formula C106H135F3N6O50S8 and a molecular weight of 2606.77 g/mol. Its IUPAC name is (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID159663875
Molecular FormulaC106H135F3N6O50S8
Molecular Weight2606.77 g/mol
Exact Mass2604.59
IUPAC Name(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2(C)C(F)(F)F.C=CC(=O)NCC(=O)OC1(C)C2CC3OS(=O)(=O)C1C3C2.C=CC(=O)NCC(=O)OC1C2C3CC1(C)CC3OS2(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(OS(=O)(=O)C31)C2C.C=CC(=O)NCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2
InChIInChI=1S/C15H17F3O7S.C14H18O7S.5C13H17NO6S.C12H15NO6S/c1-6(2)13(20)23-5-9(19)24-11-7-4-8-10(12(11)26(21,22)25-8)14(7,3)15(16,17)18;1-7(2)13(16)19-6-10(15)20-11-8-4-9-12(11)22(17,18)21-14(9,3)5-8;1-3-9(15)14-6-10(16)19-12-11-7-4-13(12,2)5-8(7)20-21(11,17)18;1-3-10(15)14-6-11(16)19-13(2)7-4-8-9(5-7)20-21(17,18)12(8)13;1-3-9(15)14-6-10(16)19-11-7-4-8-13(2,5-7)12(11)21(17,18)20-8;1-3-9(15)14-6-10(16)19-11-7-4-8-12(11)21(17,18)20-13(8,2)5-7;1-3-9(15)14-5-10(16)19-12-7-4-8-11(6(7)2)20-21(17,18)13(8)12;1-2-9(14)13-5-10(15)18-11-6-3-7-8(4-6)19-20(16,17)12(7)11/h7-8,10-12H,1,4-5H2,2-3H3;8-9,11-12H,1,4-6H2,2-3H3;3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,7-9,12H,1,4-6H2,2H3,(H,14,15);2*3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,6-8,11-13H,1,4-5H2,2H3,(H,14,15);2,6-8,11-12H,1,3-5H2,(H,13,14)
InChIKeyMTDQSPPPIPETTR-UHFFFAOYSA-N
XLogP-0.29
TPSA784.56 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds32
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.77
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate (CID 159663875) is (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2(C)C(F)(F)F.C=CC(=O)NCC(=O)OC1(C)C2CC3OS(=O)(=O)C1C3C2.C=CC(=O)NCC(=O)OC1C2C3CC1(C)CC3OS2(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(OS(=O)(=O)C31)C2C.C=CC(=O)NCC(=O)OC1C2CC3C1S(=O)(=O)OC3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3(C)C2.C=CC(=O)NCC(=O)OC1C2CC3OS(=O)(=O)C1C3C2.
What is the InChIKey of (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is MTDQSPPPIPETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O7S.C14H18O7S.5C13H17NO6S.C12H15NO6S/c1-6(2)13(20)23-5-9(19)24-11-7-4-8-10(12(11)26(21,22)25-8)14(7,3)15(16,17)18;1-7(2)13(16)19-6-10(15)20-11-8-4-9-12(11)22(17,18)21-14(9,3)5-8;1-3-9(15)14-6-10(16)19-12-11-7-4-13(12,2)5-8(7)20-21(11,17)18;1-3-10(15)14-6-11(16)19-13(2)7-4-8-9(5-7)20-21(17,18)12(8)13;1-3-9(15)14-6-10(16)19-11-7-4-8-13(2,5-7)12(11)21(17,18)20-8;1-3-9(15)14-6-10(16)19-11-7-4-8-12(11)21(17,18)20-13(8,2)5-7;1-3-9(15)14-5-10(16)19-12-7-4-8-11(6(7)2)20-21(17,18)13(8)12;1-2-9(14)13-5-10(15)18-11-6-3-7-8(4-6)19-20(16,17)12(7)11/h7-8,10-12H,1,4-5H2,2-3H3;8-9,11-12H,1,4-6H2,2-3H3;3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,7-9,12H,1,4-6H2,2H3,(H,14,15);2*3,7-8,11-12H,1,4-6H2,2H3,(H,14,15);3,6-8,11-13H,1,4-5H2,2H3,(H,14,15);2,6-8,11-12H,1,3-5H2,(H,13,14).
What are the key properties of (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate?
(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 2606.77 g/mol, XLogP of -0.29, 32 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-(prop-2-enoylamino)acetate;[2-[[8-methyl-5,5-dioxo-8-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159663875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).