(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate

C14H15NO4S2 — CID 23212735

IUPAC(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate
SMILESCSc1c(C)cc(-c2ccccc2)n(OS(C)(=O)=O)c1=O
InChIInChI=1S/C14H15NO4S2/c1-10-9-12(11-7-5-4-6-8-11)15(19-21(3,17)18)14(16)13(10)20-2/h4-9H,1-3H3
InChIKeyYOYNIDUIADFWDJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.93
Rot. Bonds4

About (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate

(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate (PubChem CID 23212735) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate
PubChem CID23212735
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate
SMILESCSc1c(C)cc(-c2ccccc2)n(OS(C)(=O)=O)c1=O
InChIInChI=1S/C14H15NO4S2/c1-10-9-12(11-7-5-4-6-8-11)15(19-21(3,17)18)14(16)13(10)20-2/h4-9H,1-3H3
InChIKeyYOYNIDUIADFWDJ-UHFFFAOYSA-N
XLogP1.93
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-4,6-diphenyl-1-pyridinyl) methanesulfonate
CID 19748662
[2-(2,2-diphenylethenyl)-4-methyl-6-oxo-1-pyridinyl] methanesulfonate
CID 19100004
6-fluoro-2-methoxy-3-phenylisoquinolin-1-one
CID 102141100
(2,5-dioxo-3-phenylpyrrol-1-yl) methanesulfonate
CID 54072349
1-(benzenesulfonyl)-5-(4-fluorophenyl)-2,3-dimethylpyrrole
CID 66925091
(4-methyl-2-naphthalen-1-yl-6-oxo-1-pyridinyl) methanesulfonate
CID 57263042
2,4,5-trichloro-6-methylsulfanyl-7-phenylisoindole-1,3-dione
CID 174377208
(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate
CID 19747088
1-[4-[4-(3-cyano-4-methyl-2-oxo-6-phenyl-1-pyridinyl)phenyl]sulfonylphenyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 66553470
(4-methyl-6-oxo-2-phenyl-3-prop-2-enyl-1-pyridinyl) trifluoromethanesulfonate
CID 23212702
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
(3,5-dimethyl-4-methylsulfanylphenyl) hydrogen carbonate
CID 171476794

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate?
The IUPAC name of (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate (CID 23212735) is (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate.
What is the SMILES notation for (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate?
The canonical SMILES for (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate is CSc1c(C)cc(-c2ccccc2)n(OS(C)(=O)=O)c1=O.
What is the InChIKey of (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate?
The InChIKey is YOYNIDUIADFWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10-9-12(11-7-5-4-6-8-11)15(19-21(3,17)18)14(16)13(10)20-2/h4-9H,1-3H3.
What are the key properties of (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate?
(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate has a molecular weight of 325.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate is sourced from PubChem (CID 23212735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).