1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone

C12H15NO2S — CID 71216687

IUPAC1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1OC1CCSCC1
InChIInChI=1S/C12H15NO2S/c1-9(14)11-3-2-6-13-12(11)15-10-4-7-16-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyYAHGTUFRANXIIZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.56
Rot. Bonds3

About 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone

1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone (PubChem CID 71216687) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
PubChem CID71216687
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1OC1CCSCC1
InChIInChI=1S/C12H15NO2S/c1-9(14)11-3-2-6-13-12(11)15-10-4-7-16-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyYAHGTUFRANXIIZ-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone
CID 130543309
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone (CID 71216687) is 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone is CC(=O)c1cccnc1OC1CCSCC1.
What is the InChIKey of 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone?
The InChIKey is YAHGTUFRANXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9(14)11-3-2-6-13-12(11)15-10-4-7-16-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone?
1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone has a molecular weight of 237.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 71216687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).