N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine

C10H12N2O2S — CID 12707554

IUPACN-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine
SMILESCN=C=NCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-9-3-5-10(6-4-9)15(13,14)8-12-7-11-2/h3-6H,8H2,1-2H3
InChIKeyODGXNEQQZVOZLI-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.53
Rot. Bonds3

About N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine

N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine (PubChem CID 12707554) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine.

Molecular Properties

Compound NameN-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine
PubChem CID12707554
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine
SMILESCN=C=NCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-9-3-5-10(6-4-9)15(13,14)8-12-7-11-2/h3-6H,8H2,1-2H3
InChIKeyODGXNEQQZVOZLI-UHFFFAOYSA-N
XLogP1.53
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
ethane;(4-methylphenyl)sulfonylmethylazanium
CID 145005108
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
CID 71371695
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
1,1-dichloro-N-[(4-methylphenyl)sulfonylmethyl]propan-2-imine
CID 163521583
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
(4-methylphenyl)sulfonylmethanesulfonyl iodide
CID 91415915
(4-methylphenyl)sulfonyloxidanium
CID 5175018
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine?
The IUPAC name of N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine (CID 12707554) is N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine.
What is the SMILES notation for N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine?
The canonical SMILES for N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine is CN=C=NCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine?
The InChIKey is ODGXNEQQZVOZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-9-3-5-10(6-4-9)15(13,14)8-12-7-11-2/h3-6H,8H2,1-2H3.
What are the key properties of N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine?
N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine has a molecular weight of 224.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(4-methylphenyl)sulfonylmethyl]methanediimine is sourced from PubChem (CID 12707554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).