1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine

C20H24N2O2S — CID 23941120

IUPAC1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-16-6-7-18(17(2)14-16)15-21-19-8-10-20(11-9-19)25(23,24)22-12-4-3-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+
InChIKeyVCQCCOZIAUXJEM-RCCKNPSSSA-N
MW356.49 g/mol
LogP4.23
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine

1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine (PubChem CID 23941120) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
PubChem CID23941120
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
SMILESCc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-16-6-7-18(17(2)14-16)15-21-19-8-10-20(11-9-19)25(23,24)22-12-4-3-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+
InChIKeyVCQCCOZIAUXJEM-RCCKNPSSSA-N
XLogP4.23
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907606
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
CID 23819949
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine (CID 23941120) is 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine is Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The InChIKey is VCQCCOZIAUXJEM-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16-6-7-18(17(2)14-16)15-21-19-8-10-20(11-9-19)25(23,24)22-12-4-3-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine has a molecular weight of 356.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine is sourced from PubChem (CID 23941120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).