(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine

C11H14NO3S- — CID 135050895

IUPAC(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine
SMILESCO[C-](C)/N=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14NO3S/c1-9-4-6-11(7-5-9)16(13,14)8-12-10(2)15-3/h4-8H,1-3H3/q-1/b12-8+
InChIKeyKARQEMYFXHFVJZ-XYOKQWHBSA-N
MW240.30 g/mol
LogP1.95
Rot. Bonds4

About (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine

(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine (PubChem CID 135050895) has the molecular formula C11H14NO3S- and a molecular weight of 240.30 g/mol. Its IUPAC name is (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine.

Molecular Properties

Compound Name(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine
PubChem CID135050895
Molecular FormulaC11H14NO3S-
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine
SMILESCO[C-](C)/N=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14NO3S/c1-9-4-6-11(7-5-9)16(13,14)8-12-10(2)15-3/h4-8H,1-3H3/q-1/b12-8+
InChIKeyKARQEMYFXHFVJZ-XYOKQWHBSA-N
XLogP1.95
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Tosylmethyl isocyanide
CID 161915
1-Isocyanatomethanesulfonyl-4-methylbenzene
CID 11789078
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46837865
p-Tolyl isocyanomethyl sulfone
CID 562852
1-Diazomethanesulfonyl-4-methyl-benzene
CID 11805641
(4S,5S)-5-ethyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 11821105
1-[(E)-diazomethyl]sulfonyl-4-methylbenzene
CID 59253830
(z)-N-(tosylmethyl)formimidoyl fluoride
CID 156630761
ethyl (1Z)-N-(4-methylphenyl)sulfonylmethanimidate
CID 44305342
Lithium 1-(isocyanomethylsulfonyl)-4-methylbenzene
CID 10035699
1,1-dichloro-N-[(4-methylphenyl)sulfonylmethyl]methanimine
CID 12251444

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine?
The IUPAC name of (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine (CID 135050895) is (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine.
What is the SMILES notation for (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine?
The canonical SMILES for (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine is CO[C-](C)/N=C/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine?
The InChIKey is KARQEMYFXHFVJZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14NO3S/c1-9-4-6-11(7-5-9)16(13,14)8-12-10(2)15-3/h4-8H,1-3H3/q-1/b12-8+.
What are the key properties of (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine?
(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine has a molecular weight of 240.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine is sourced from PubChem (CID 135050895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).