1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone

C11H15NOS — CID 115373986

IUPAC1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15NOS/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7H,3-4,8H2,1-2H3
InChIKeyMPHXLEOGWRSEEB-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.72
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone

1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone (PubChem CID 115373986) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
PubChem CID115373986
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15NOS/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7H,3-4,8H2,1-2H3
InChIKeyMPHXLEOGWRSEEB-UHFFFAOYSA-N
XLogP2.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Acetylpyridine
CID 9589
3-Acetyl-6-methylpyridine
CID 95292
5-Methylpyridine-3-carbaldehyde
CID 14141158
1-(4-Pyridinyl)-1-propanone
CID 74343
1-(Pyridin-3-yl)butan-1-one
CID 459502
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
(2e)-3-Phenyl-1-(pyridin-3-yl)prop-2-en-1-one
CID 5355549
5-Methylnicotinamide
CID 65560
2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one
CID 11769061
1-(Pyridin-3-yl)butane-1,3-dione
CID 300160
4-Oxo-4-(pyridin-3-yl)butanenitrile
CID 302563
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone (CID 115373986) is 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone is CCCSCC(=O)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone?
The InChIKey is MPHXLEOGWRSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone?
1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone has a molecular weight of 209.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone is sourced from PubChem (CID 115373986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).