1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one

C11H15NO4S — CID 115793668

IUPAC1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
SMILESCCOc1cncc(C(=O)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-4-16-10-5-9(6-12-7-10)11(13)8(2)17(3,14)15/h5-8H,4H2,1-3H3
InChIKeyKEKPXNNKOYDHJB-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.10
Rot. Bonds5

About 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one

1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one (PubChem CID 115793668) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
PubChem CID115793668
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
SMILESCCOc1cncc(C(=O)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-4-16-10-5-9(6-12-7-10)11(13)8(2)17(3,14)15/h5-8H,4H2,1-3H3
InChIKeyKEKPXNNKOYDHJB-UHFFFAOYSA-N
XLogP1.10
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793396
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 116680661
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one (CID 115793668) is 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one is CCOc1cncc(C(=O)C(C)S(C)(=O)=O)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one?
The InChIKey is KEKPXNNKOYDHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-10-5-9(6-12-7-10)11(13)8(2)17(3,14)15/h5-8H,4H2,1-3H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one?
1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one has a molecular weight of 257.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 115793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).