(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone

C11H13NO2S — CID 130543309

IUPAC(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone
SMILESCOc1ncccc1C(=O)C1CCSC1
InChIInChI=1S/C11H13NO2S/c1-14-11-9(3-2-5-12-11)10(13)8-4-6-15-7-8/h2-3,5,8H,4,6-7H2,1H3
InChIKeyAJYLKCOBJDNFON-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.03
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone

(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone (PubChem CID 130543309) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone
PubChem CID130543309
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone
SMILESCOc1ncccc1C(=O)C1CCSC1
InChIInChI=1S/C11H13NO2S/c1-14-11-9(3-2-5-12-11)10(13)8-4-6-15-7-8/h2-3,5,8H,4,6-7H2,1H3
InChIKeyAJYLKCOBJDNFON-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-(2-methoxy-3-pyridinyl)methanone
CID 171943438
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
1-[2-(thian-4-yloxy)-3-pyridinyl]ethanone
CID 71216687
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-methoxy-3-pyridinyl)methanone
CID 63763799
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone (CID 130543309) is (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone is COc1ncccc1C(=O)C1CCSC1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone?
The InChIKey is AJYLKCOBJDNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-11-9(3-2-5-12-11)10(13)8-4-6-15-7-8/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone?
(2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 130543309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).