[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid

C92H120N8O25S6 — CID 172930482

IUPAC[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid
SMILESCc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/OC(=O)C3CC3)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C#N)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(=O)O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(N)=O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(c3noc(C4CC4)n3)C2)c1
InChIInChI=1S/C18H24N2O5S.C18H22N2O4S.C14H20N2O4S.C14H19NO4S.C14H17NO3S.C14H18O5S/c1-12-4-3-5-14(10-12)26(22,23)18(2)8-9-24-15(11-18)16(19)20-25-17(21)13-6-7-13;1-12-4-3-5-14(10-12)25(21,22)18(2)8-9-23-15(11-18)16-19-17(24-20-16)13-6-7-13;1-10-4-3-5-11(8-10)21(18,19)14(2)6-7-20-12(9-14)13(15)16-17;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16;1-11-4-3-5-13(8-11)19(16,17)14(2)6-7-18-12(9-14)10-15;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,19,20);3-5,10,13,15H,6-9,11H2,1-2H3;3-5,8,12,17H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3;3-5,8,12H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyUQDOATIGGLUGSK-UHFFFAOYSA-N
MW1930.40 g/mol
LogP11.94
Rot. Bonds20

About [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid

[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid (PubChem CID 172930482) has the molecular formula C92H120N8O25S6 and a molecular weight of 1930.40 g/mol. Its IUPAC name is [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid.

Molecular Properties

Compound Name[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid
PubChem CID172930482
Molecular FormulaC92H120N8O25S6
Molecular Weight1930.40 g/mol
Exact Mass1928.67
IUPAC Name[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid
SMILESCc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/OC(=O)C3CC3)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C#N)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(=O)O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(N)=O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(c3noc(C4CC4)n3)C2)c1
InChIInChI=1S/C18H24N2O5S.C18H22N2O4S.C14H20N2O4S.C14H19NO4S.C14H17NO3S.C14H18O5S/c1-12-4-3-5-14(10-12)26(22,23)18(2)8-9-24-15(11-18)16(19)20-25-17(21)13-6-7-13;1-12-4-3-5-14(10-12)25(21,22)18(2)8-9-23-15(11-18)16-19-17(24-20-16)13-6-7-13;1-10-4-3-5-11(8-10)21(18,19)14(2)6-7-20-12(9-14)13(15)16-17;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16;1-11-4-3-5-13(8-11)19(16,17)14(2)6-7-18-12(9-14)10-15;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,19,20);3-5,10,13,15H,6-9,11H2,1-2H3;3-5,8,12,17H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3;3-5,8,12H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyUQDOATIGGLUGSK-UHFFFAOYSA-N
XLogP11.94
TPSA526.61 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.40
LogP ≤ 511.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid with MolForge

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Related Compounds

4-ethyl-N'-hydroxy-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide
CID 118445075
5-cyclopropyl-3-[4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-1,2,4-oxadiazole
CID 118434450
3-[(2S,4S)-4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-5-methylsulfonylpyridine
CID 118445029
(2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443624
(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443628
2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole
CID 118445043
4-methyl-4-(3-methylphenyl)sulfonyl-2-[3-methylsulfonyl-4-(trifluoromethyl)phenyl]oxane
CID 118443654
methyl 4-ethyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylate
CID 118445077
tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate;N'-hydroxycyclopropanecarboximidamide
CID 159134914
1-butyl-5-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-3-(trifluoromethyl)pyrazole
CID 126764384
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-1H-pyrazole
CID 129023668

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid?
The IUPAC name of [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid (CID 172930482) is [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid.
What is the SMILES notation for [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid?
The canonical SMILES for [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid is Cc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(/C(N)=N/OC(=O)C3CC3)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C#N)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(=O)O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(C(N)=O)C2)c1.Cc1cccc(S(=O)(=O)C2(C)CCOC(c3noc(C4CC4)n3)C2)c1.
What is the InChIKey of [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid?
The InChIKey is UQDOATIGGLUGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S.C18H22N2O4S.C14H20N2O4S.C14H19NO4S.C14H17NO3S.C14H18O5S/c1-12-4-3-5-14(10-12)26(22,23)18(2)8-9-24-15(11-18)16(19)20-25-17(21)13-6-7-13;1-12-4-3-5-14(10-12)25(21,22)18(2)8-9-23-15(11-18)16-19-17(24-20-16)13-6-7-13;1-10-4-3-5-11(8-10)21(18,19)14(2)6-7-20-12(9-14)13(15)16-17;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16;1-11-4-3-5-13(8-11)19(16,17)14(2)6-7-18-12(9-14)10-15;1-10-4-3-5-11(8-10)20(17,18)14(2)6-7-19-12(9-14)13(15)16/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,19,20);3-5,10,13,15H,6-9,11H2,1-2H3;3-5,8,12,17H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16);3-5,8,12H,6-7,9H2,1-2H3;3-5,8,12H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid?
[(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid has a molecular weight of 1930.40 g/mol, XLogP of 11.94, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]methylidene]amino] cyclopropanecarboxylate;5-cyclopropyl-3-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,2,4-oxadiazole;N'-hydroxy-4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carbonitrile;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxamide;4-methyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylic acid is sourced from PubChem (CID 172930482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).