1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine

C19H22N2O2S — CID 910303

IUPAC1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
SMILESCc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-7-3-4-8-17(16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-5-2-6-14-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3/b20-15+
InChIKeyBVFSWKBTMNLEFH-HMMYKYKNSA-N
MW342.46 g/mol
LogP3.92
Rot. Bonds4

About 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine

1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine (PubChem CID 910303) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
PubChem CID910303
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
SMILESCc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-7-3-4-8-17(16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-5-2-6-14-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3/b20-15+
InChIKeyBVFSWKBTMNLEFH-HMMYKYKNSA-N
XLogP3.92
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.92
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-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
CID 23819949
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
CID 5164537
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The IUPAC name of 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine (CID 910303) is 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine is Cc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
The InChIKey is BVFSWKBTMNLEFH-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-16-7-3-4-8-17(16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-5-2-6-14-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3/b20-15+.
What are the key properties of 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine?
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine has a molecular weight of 342.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine is sourced from PubChem (CID 910303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).