6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine

C20H23NO2S2 — CID 15440132

IUPAC6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)=CC2(C)C)cc1
InChIInChI=1S/C20H23NO2S2/c1-16-9-11-19(12-10-16)25(22,23)21-14-13-18(15-20(21,2)3)24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyHKPRESWUYVKEKV-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.84
Rot. Bonds4

About 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine

6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine (PubChem CID 15440132) has the molecular formula C20H23NO2S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine
PubChem CID15440132
Molecular FormulaC20H23NO2S2
Molecular Weight373.54 g/mol
Exact Mass373.12
IUPAC Name6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)=CC2(C)C)cc1
InChIInChI=1S/C20H23NO2S2/c1-16-9-11-19(12-10-16)25(22,23)21-14-13-18(15-20(21,2)3)24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyHKPRESWUYVKEKV-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)sulfonyl-9-phenylsulfanyl-6-azaspiro[4.5]dec-8-en-7-one
CID 101247076
2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390
(NE)-4-methyl-N-[[(2R)-1-(4-methylphenyl)sulfonyl-2,5-bis(phenylsulfanyl)-3,4-dihydropyridin-2-yl]methylidene]benzenesulfonamide
CID 139045855
2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 134927022
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylsulfanylpiperidin-2-one
CID 10248904
3,5-dimethyl-6-(4-methylphenyl)sulfonyl-1-phenyl-6-azabicyclo[3.2.1]oct-3-ene
CID 101441669
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
CID 134957407
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
diphenyl-(4-phenylsulfanylphenyl)phosphanium;4-methylbenzenesulfonate
CID 162313495
1-(4-methylphenyl)sulfonyl-4-phenyl-1-azaspiro[4.6]undecane
CID 11234463
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine (CID 15440132) is 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine is Cc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)=CC2(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine?
The InChIKey is HKPRESWUYVKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S2/c1-16-9-11-19(12-10-16)25(22,23)21-14-13-18(15-20(21,2)3)24-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine?
6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine has a molecular weight of 373.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 15440132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).