N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide

C106H144F3N11O24S8 — CID 159011262

IUPACN-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)C2CCCC2)cc1.CC(C)(C)/[N+]([O-])=C/c1ccccc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1cccnc1S(C)(=O)=O.CC(C)S(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CCS(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])C1CCCCC1.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C16H23NO3S.C14H14N2O3S.C14H21NO3S.C13H16F3NO3S.C13H18N2O3S.C13H19NO3S.C12H17NO3S.C11H16N2O3S/c1-16(2,3)17(18)12-13-8-10-15(11-9-13)21(19,20)14-6-4-5-7-14;1-20(18,19)14-13(8-5-9-15-14)11-16(17)10-12-6-3-2-4-7-12;1-11(2)19(17,18)13-9-7-6-8-12(13)10-15(16)14(3,4)5;1-12(2,3)17(18)8-9-5-6-10(13(14,15)16)7-11(9)21(4,19)20;1-19(17,18)13-11(6-5-9-14-13)10-15(16)12-7-3-2-4-8-12;1-5-18(16,17)12-9-7-6-8-11(12)10-14(15)13(2,3)4;1-12(2,3)13(14)9-10-7-5-6-8-11(10)17(4,15)16;1-11(2,3)13(14)8-9-6-5-7-12-10(9)17(4,15)16/h8-12,14H,4-7H2,1-3H3;2-9,11H,10H2,1H3;6-11H,1-5H3;5-8H,1-4H3;5-6,9-10,12H,2-4,7-8H2,1H3;6-10H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3/b17-12-;16-11-;15-10-;17-8-;15-10-;14-10-;13-9-;13-8-
InChIKeyJSNBJPJRRURAMC-IRHALBFGSA-N
MW2269.90 g/mol
LogP17.16
Rot. Bonds22

About N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide

N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide (PubChem CID 159011262) has the molecular formula C106H144F3N11O24S8 and a molecular weight of 2269.90 g/mol. Its IUPAC name is N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide
PubChem CID159011262
Molecular FormulaC106H144F3N11O24S8
Molecular Weight2269.90 g/mol
Exact Mass2267.81
IUPAC NameN-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)C2CCCC2)cc1.CC(C)(C)/[N+]([O-])=C/c1ccccc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1cccnc1S(C)(=O)=O.CC(C)S(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CCS(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])C1CCCCC1.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C16H23NO3S.C14H14N2O3S.C14H21NO3S.C13H16F3NO3S.C13H18N2O3S.C13H19NO3S.C12H17NO3S.C11H16N2O3S/c1-16(2,3)17(18)12-13-8-10-15(11-9-13)21(19,20)14-6-4-5-7-14;1-20(18,19)14-13(8-5-9-15-14)11-16(17)10-12-6-3-2-4-7-12;1-11(2)19(17,18)13-9-7-6-8-12(13)10-15(16)14(3,4)5;1-12(2,3)17(18)8-9-5-6-10(13(14,15)16)7-11(9)21(4,19)20;1-19(17,18)13-11(6-5-9-14-13)10-15(16)12-7-3-2-4-8-12;1-5-18(16,17)12-9-7-6-8-11(12)10-14(15)13(2,3)4;1-12(2,3)13(14)9-10-7-5-6-8-11(10)17(4,15)16;1-11(2,3)13(14)8-9-6-5-7-12-10(9)17(4,15)16/h8-12,14H,4-7H2,1-3H3;2-9,11H,10H2,1H3;6-11H,1-5H3;5-8H,1-4H3;5-6,9-10,12H,2-4,7-8H2,1H3;6-10H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3/b17-12-;16-11-;15-10-;17-8-;15-10-;14-10-;13-9-;13-8-
InChIKeyJSNBJPJRRURAMC-IRHALBFGSA-N
XLogP17.16
TPSA520.35 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.90
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide?
The IUPAC name of N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide (CID 159011262) is N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide.
What is the SMILES notation for N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide?
The canonical SMILES for N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide is CC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)C2CCCC2)cc1.CC(C)(C)/[N+]([O-])=C/c1ccccc1S(C)(=O)=O.CC(C)(C)/[N+]([O-])=C/c1cccnc1S(C)(=O)=O.CC(C)S(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CCS(=O)(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])C1CCCCC1.CS(=O)(=O)c1ncccc1/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide?
The InChIKey is JSNBJPJRRURAMC-IRHALBFGSA-N. The full InChI is InChI=1S/C16H23NO3S.C14H14N2O3S.C14H21NO3S.C13H16F3NO3S.C13H18N2O3S.C13H19NO3S.C12H17NO3S.C11H16N2O3S/c1-16(2,3)17(18)12-13-8-10-15(11-9-13)21(19,20)14-6-4-5-7-14;1-20(18,19)14-13(8-5-9-15-14)11-16(17)10-12-6-3-2-4-7-12;1-11(2)19(17,18)13-9-7-6-8-12(13)10-15(16)14(3,4)5;1-12(2,3)17(18)8-9-5-6-10(13(14,15)16)7-11(9)21(4,19)20;1-19(17,18)13-11(6-5-9-14-13)10-15(16)12-7-3-2-4-8-12;1-5-18(16,17)12-9-7-6-8-11(12)10-14(15)13(2,3)4;1-12(2,3)13(14)9-10-7-5-6-8-11(10)17(4,15)16;1-11(2,3)13(14)8-9-6-5-7-12-10(9)17(4,15)16/h8-12,14H,4-7H2,1-3H3;2-9,11H,10H2,1H3;6-11H,1-5H3;5-8H,1-4H3;5-6,9-10,12H,2-4,7-8H2,1H3;6-10H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3/b17-12-;16-11-;15-10-;17-8-;15-10-;14-10-;13-9-;13-8-.
What are the key properties of N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide?
N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide has a molecular weight of 2269.90 g/mol, XLogP of 17.16, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-(4-cyclopentylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-ethylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonylphenyl)methanimine oxide;N-tert-butyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide;N-tert-butyl-1-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanimine oxide;N-tert-butyl-1-(2-propan-2-ylsulfonylphenyl)methanimine oxide;N-cyclohexyl-1-(2-methylsulfonyl-3-pyridinyl)methanimine oxide is sourced from PubChem (CID 159011262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).