1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone

C11H13NO2S — CID 79962566

IUPAC1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CSCCO1
InChIInChI=1S/C11H13NO2S/c13-10(11-8-15-6-5-14-11)7-9-1-3-12-4-2-9/h1-4,11H,5-8H2
InChIKeyUIKVVXSDQKAHAO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.33
Rot. Bonds3

About 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone

1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone (PubChem CID 79962566) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone
PubChem CID79962566
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CSCCO1
InChIInChI=1S/C11H13NO2S/c13-10(11-8-15-6-5-14-11)7-9-1-3-12-4-2-9/h1-4,11H,5-8H2
InChIKeyUIKVVXSDQKAHAO-UHFFFAOYSA-N
XLogP1.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanone
CID 79962669
2-(3-fluoro-4-methoxyphenyl)-1-(1,4-oxathian-2-yl)ethanone
CID 79965827
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
naphthalen-1-yl(1,4-oxathian-2-yl)methanone
CID 79965727
2-pyridin-4-yl-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171945203
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
CID 62622674
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
CID 171945206
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanone
CID 61080286
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone (CID 79962566) is 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone?
The InChIKey is UIKVVXSDQKAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-10(11-8-15-6-5-14-11)7-9-1-3-12-4-2-9/h1-4,11H,5-8H2.
What are the key properties of 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone?
1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone has a molecular weight of 223.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 79962566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).