N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine

C20H18N2O2S — CID 86676179

IUPACN-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESCS(=O)(=O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C20H18N2O2S/c1-25(23,24)15-19-13-12-18(14-21-19)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyMSUZHNPOCDJTMQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.80
Rot. Bonds5

About N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine

N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 86676179) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine
PubChem CID86676179
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESCS(=O)(=O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C20H18N2O2S/c1-25(23,24)15-19-13-12-18(14-21-19)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyMSUZHNPOCDJTMQ-UHFFFAOYSA-N
XLogP3.80
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine (CID 86676179) is N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine is CS(=O)(=O)Cc1ccc(N=C(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is MSUZHNPOCDJTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-25(23,24)15-19-13-12-18(14-21-19)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 350.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 86676179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).