1-ethylsulfonyl-2H-pyridine

C7H11NO2S — CID 91483692

IUPAC1-ethylsulfonyl-2H-pyridine
SMILESCCS(=O)(=O)N1C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyGYXPHWBGTJMXBO-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.72
Rot. Bonds2

About 1-ethylsulfonyl-2H-pyridine

1-ethylsulfonyl-2H-pyridine (PubChem CID 91483692) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-2H-pyridine
PubChem CID91483692
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-ethylsulfonyl-2H-pyridine
SMILESCCS(=O)(=O)N1C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyGYXPHWBGTJMXBO-UHFFFAOYSA-N
XLogP0.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Chloro-3-isopropylsulphonylpyridine
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1-sulfanyl-2H-pyridine-2-sulfonic acid
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1-methyl-2H-pyridine-3-sulfonic acid
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2-Ethylthiazine 1,1-dioxide
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1-pentylsulfonyl-2H-pyridine
CID 69986318
1-pentylsulfinyl-2H-pyridine
CID 70085570
2,4-dihydro-1H-pyridin-4-ylium;ethanesulfonate
CID 87973006
1-methyl-1-sulfo-2H-pyridin-1-ium-4-sulfonate
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1-methyl-5-methylsulfonyl-2H-pyridine
CID 141417136

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-2H-pyridine (CID 91483692) is 1-ethylsulfonyl-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-2H-pyridine is CCS(=O)(=O)N1C=CC=CC1.
What is the InChIKey of 1-ethylsulfonyl-2H-pyridine?
The InChIKey is GYXPHWBGTJMXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethylsulfonyl-2H-pyridine?
1-ethylsulfonyl-2H-pyridine has a molecular weight of 173.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2H-pyridine is sourced from PubChem (CID 91483692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).