4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate

C88H148N8O48S8 — CID 162127651

IUPAC4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
SMILESCCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(C)(=O)=O
InChIInChI=1S/C14H23NO6S.C13H21NO6S.C12H21NO6S.2C11H19NO6S.C10H17NO6S.C9H15NO6S.C8H13NO6S/c1-20-13(16)7-8-14(17)21-10-9-15-22(18,19)11-12-5-3-2-4-6-12;1-19-12(15)7-8-13(16)20-10-9-14-21(17,18)11-5-3-2-4-6-11;1-12(2,3)9-20(16,17)13-7-8-19-11(15)6-5-10(14)18-4;1-11(2,3)19(15,16)12-7-8-18-10(14)6-5-9(13)17-4;1-9(2)8-19(15,16)12-6-7-18-11(14)5-4-10(13)17-3;1-8(2)18(14,15)11-6-7-17-10(13)5-4-9(12)16-3;1-3-17(13,14)10-6-7-16-9(12)5-4-8(11)15-2;1-14-7(10)3-4-8(11)15-6-5-9-16(2,12)13/h7-8,12,15H,2-6,9-11H2,1H3;7-8,11,14H,2-6,9-10H2,1H3;5-6,13H,7-9H2,1-4H3;5-6,12H,7-8H2,1-4H3;4-5,9,12H,6-8H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-5,10H,3,6-7H2,1-2H3;3-4,9H,5-6H2,1-2H3/b2*8-7+;2*6-5+;3*5-4+;4-3+
InChIKeyZIGCWQMHNDFLEE-UTQBQSCFSA-N
MW2342.70 g/mol
LogP-1.10
Rot. Bonds56

About 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate

4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate (PubChem CID 162127651) has the molecular formula C88H148N8O48S8 and a molecular weight of 2342.70 g/mol. Its IUPAC name is 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate.

Molecular Properties

Compound Name4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
PubChem CID162127651
Molecular FormulaC88H148N8O48S8
Molecular Weight2342.70 g/mol
Exact Mass2340.72
IUPAC Name4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
SMILESCCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(C)(=O)=O
InChIInChI=1S/C14H23NO6S.C13H21NO6S.C12H21NO6S.2C11H19NO6S.C10H17NO6S.C9H15NO6S.C8H13NO6S/c1-20-13(16)7-8-14(17)21-10-9-15-22(18,19)11-12-5-3-2-4-6-12;1-19-12(15)7-8-13(16)20-10-9-14-21(17,18)11-5-3-2-4-6-11;1-12(2,3)9-20(16,17)13-7-8-19-11(15)6-5-10(14)18-4;1-11(2,3)19(15,16)12-7-8-18-10(14)6-5-9(13)17-4;1-9(2)8-19(15,16)12-6-7-18-11(14)5-4-10(13)17-3;1-8(2)18(14,15)11-6-7-17-10(13)5-4-9(12)16-3;1-3-17(13,14)10-6-7-16-9(12)5-4-8(11)15-2;1-14-7(10)3-4-8(11)15-6-5-9-16(2,12)13/h7-8,12,15H,2-6,9-11H2,1H3;7-8,11,14H,2-6,9-10H2,1H3;5-6,13H,7-9H2,1-4H3;5-6,12H,7-8H2,1-4H3;4-5,9,12H,6-8H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-5,10H,3,6-7H2,1-2H3;3-4,9H,5-6H2,1-2H3/b2*8-7+;2*6-5+;3*5-4+;4-3+
InChIKeyZIGCWQMHNDFLEE-UTQBQSCFSA-N
XLogP-1.10
TPSA790.16 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002342.70
LogP ≤ 5-1.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The IUPAC name of 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate (CID 162127651) is 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate.
What is the SMILES notation for 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The canonical SMILES for 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate is CCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)C.COC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1.COC(=O)/C=C/C(=O)OCCNS(C)(=O)=O.
What is the InChIKey of 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The InChIKey is ZIGCWQMHNDFLEE-UTQBQSCFSA-N. The full InChI is InChI=1S/C14H23NO6S.C13H21NO6S.C12H21NO6S.2C11H19NO6S.C10H17NO6S.C9H15NO6S.C8H13NO6S/c1-20-13(16)7-8-14(17)21-10-9-15-22(18,19)11-12-5-3-2-4-6-12;1-19-12(15)7-8-13(16)20-10-9-14-21(17,18)11-5-3-2-4-6-11;1-12(2,3)9-20(16,17)13-7-8-19-11(15)6-5-10(14)18-4;1-11(2,3)19(15,16)12-7-8-18-10(14)6-5-9(13)17-4;1-9(2)8-19(15,16)12-6-7-18-11(14)5-4-10(13)17-3;1-8(2)18(14,15)11-6-7-17-10(13)5-4-9(12)16-3;1-3-17(13,14)10-6-7-16-9(12)5-4-8(11)15-2;1-14-7(10)3-4-8(11)15-6-5-9-16(2,12)13/h7-8,12,15H,2-6,9-11H2,1H3;7-8,11,14H,2-6,9-10H2,1H3;5-6,13H,7-9H2,1-4H3;5-6,12H,7-8H2,1-4H3;4-5,9,12H,6-8H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-5,10H,3,6-7H2,1-2H3;3-4,9H,5-6H2,1-2H3/b2*8-7+;2*6-5+;3*5-4+;4-3+.
What are the key properties of 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate has a molecular weight of 2342.70 g/mol, XLogP of -1.10, 56 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(tert-butylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(2,2-dimethylpropylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylsulfonylamino)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(methanesulfonamido)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(2-methylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate is sourced from PubChem (CID 162127651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).