4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine

C18H23NO2S2 — CID 1487304

IUPAC4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(SCC(C)C)n1
InChIInChI=1S/C18H23NO2S2/c1-12(2)11-22-18-17(14(4)10-15(5)19-18)23(20,21)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3
InChIKeyDXOPCXSPHMSDSY-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.59
Rot. Bonds5

About 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine

4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine (PubChem CID 1487304) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine
PubChem CID1487304
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(SCC(C)C)n1
InChIInChI=1S/C18H23NO2S2/c1-12(2)11-22-18-17(14(4)10-15(5)19-18)23(20,21)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3
InChIKeyDXOPCXSPHMSDSY-UHFFFAOYSA-N
XLogP4.59
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine?
The IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine (CID 1487304) is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine?
The canonical SMILES for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine is Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(SCC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine?
The InChIKey is DXOPCXSPHMSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-12(2)11-22-18-17(14(4)10-15(5)19-18)23(20,21)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3.
What are the key properties of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine?
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine has a molecular weight of 349.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-(2-methylpropylsulfanyl)pyridine is sourced from PubChem (CID 1487304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).