5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one

C18H21NO3S — CID 134311111

IUPAC5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)cc1-c1cc(S(C)=O)ccc1OCC1CC1
InChIInChI=1S/C18H21NO3S/c1-12-8-18(20)19(2)10-16(12)15-9-14(23(3)21)6-7-17(15)22-11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3
InChIKeyXZTOYSWUDBDKKH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.89
Rot. Bonds5

About 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one (PubChem CID 134311111) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one
PubChem CID134311111
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)cc1-c1cc(S(C)=O)ccc1OCC1CC1
InChIInChI=1S/C18H21NO3S/c1-12-8-18(20)19(2)10-16(12)15-9-14(23(3)21)6-7-17(15)22-11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3
InChIKeyXZTOYSWUDBDKKH-UHFFFAOYSA-N
XLogP2.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one
CID 123784594
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
4-(2-ethoxy-5-methylsulfinylphenyl)-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 134311365
5-[2-(cyclopropylmethoxymethylsulfonyl)phenyl]-1,4-dimethylpyridin-2-one
CID 172821205
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
CID 90027992
6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
CID 134311470
1,3-dimethyl-5-[5-[(R)-methylsulfinyl]-2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
CID 134311126
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one
CID 118021684

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one (CID 134311111) is 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one is Cc1cc(=O)n(C)cc1-c1cc(S(C)=O)ccc1OCC1CC1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one?
The InChIKey is XZTOYSWUDBDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-8-18(20)19(2)10-16(12)15-9-14(23(3)21)6-7-17(15)22-11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one has a molecular weight of 331.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 134311111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).