2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine

C14H16N2O2S2 — CID 101460121

IUPAC2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
SMILESCCS(=O)c1cccc(-c2cccc(S(=O)CC)n2)n1
InChIInChI=1S/C14H16N2O2S2/c1-3-19(17)13-9-5-7-11(15-13)12-8-6-10-14(16-12)20(18)4-2/h5-10H,3-4H2,1-2H3
InChIKeyBLLHEYBDXZUUHU-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.40
Rot. Bonds5

About 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine

2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine (PubChem CID 101460121) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
PubChem CID101460121
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine
SMILESCCS(=O)c1cccc(-c2cccc(S(=O)CC)n2)n1
InChIInChI=1S/C14H16N2O2S2/c1-3-19(17)13-9-5-7-11(15-13)12-8-6-10-14(16-12)20(18)4-2/h5-10H,3-4H2,1-2H3
InChIKeyBLLHEYBDXZUUHU-UHFFFAOYSA-N
XLogP2.40
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(3-(phenylsulfinyl)prop-1-ynyl)pyridine
CID 44415982
2-Picoline, 6-(ethylthio)-
CID 577760
2-(Allylsulfonyl)-6-methylpyridine
CID 164185579
2-Methyl-6-((phenylthio)methyl)pyridine
CID 15478590
2-(Methylsulfanyl)-6-propylpyridine
CID 57175788
2-Ethyl-6-ethylsulfonyl-3-fluoropyridine
CID 90136153
3-Fluoro-2-methyl-6-propylsulfonylpyridine
CID 90136170
6-Ethylsulfonyl-3-fluoro-2-methylpyridine
CID 90328898
2-Ethyl-3-fluoro-6-propylsulfonylpyridine
CID 91260123
2-(1,1-Difluoroethyl)-6-methylsulfonylpyridine
CID 146530931
2-[(E)-2-pyridin-2-ylsulfinylethenyl]pyridine
CID 139618858
2-methyl-6-[(E)-4-phenylsulfanylbut-3-enyl]pyridine
CID 12242890

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine?
The IUPAC name of 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine (CID 101460121) is 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine is CCS(=O)c1cccc(-c2cccc(S(=O)CC)n2)n1.
What is the InChIKey of 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine?
The InChIKey is BLLHEYBDXZUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-3-19(17)13-9-5-7-11(15-13)12-8-6-10-14(16-12)20(18)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine?
2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine has a molecular weight of 308.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-6-(6-ethylsulfinyl-2-pyridinyl)pyridine is sourced from PubChem (CID 101460121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).