4-(2-ethylsulfonylethyl)pyridine

C9H13NO2S — CID 59155282

IUPAC4-(2-ethylsulfonylethyl)pyridine
SMILESCCS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C9H13NO2S/c1-2-13(11,12)8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyLAQBFDGBRXRSOL-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.06
Rot. Bonds4

About 4-(2-ethylsulfonylethyl)pyridine

4-(2-ethylsulfonylethyl)pyridine (PubChem CID 59155282) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethyl)pyridine.

Molecular Properties

Compound Name4-(2-ethylsulfonylethyl)pyridine
PubChem CID59155282
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name4-(2-ethylsulfonylethyl)pyridine
SMILESCCS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C9H13NO2S/c1-2-13(11,12)8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyLAQBFDGBRXRSOL-UHFFFAOYSA-N
XLogP1.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-4-ylethylsulfonyl)acetic acid
CID 60891673
hydroxy-oxo-(2-pyridin-4-ylethyl)-sulfanylidene-λ6-sulfane
CID 22944914
4-[2-(4-ethylphenyl)sulfonylethyl]pyridine;hydrochloride
CID 3050820
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
CID 3050823
3-pyridin-4-ylpropane-1-sulfonic acid
CID 88691160
N-[3-(bromomethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 113271109
N-[3-(hydroxymethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 62521426
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylethyl)pyridine?
The IUPAC name of 4-(2-ethylsulfonylethyl)pyridine (CID 59155282) is 4-(2-ethylsulfonylethyl)pyridine.
What is the SMILES notation for 4-(2-ethylsulfonylethyl)pyridine?
The canonical SMILES for 4-(2-ethylsulfonylethyl)pyridine is CCS(=O)(=O)CCc1ccncc1.
What is the InChIKey of 4-(2-ethylsulfonylethyl)pyridine?
The InChIKey is LAQBFDGBRXRSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-13(11,12)8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 4-(2-ethylsulfonylethyl)pyridine?
4-(2-ethylsulfonylethyl)pyridine has a molecular weight of 199.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethyl)pyridine is sourced from PubChem (CID 59155282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).