1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine

C11H19NO2S — CID 163896456

IUPAC1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(C(C)C)C=C1C
InChIInChI=1S/C11H19NO2S/c1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4/h6,8-9H,5,7H2,1-4H3
InChIKeyQGBGFBCVCSOWMH-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.14
Rot. Bonds3

About 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine

1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine (PubChem CID 163896456) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine
PubChem CID163896456
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(C(C)C)C=C1C
InChIInChI=1S/C11H19NO2S/c1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4/h6,8-9H,5,7H2,1-4H3
InChIKeyQGBGFBCVCSOWMH-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine (CID 163896456) is 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine is CCS(=O)(=O)N1CC=C(C(C)C)C=C1C.
What is the InChIKey of 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine?
The InChIKey is QGBGFBCVCSOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-5-15(13,14)12-7-6-11(9(2)3)8-10(12)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine?
1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine has a molecular weight of 229.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-methyl-4-propan-2-yl-2H-pyridine is sourced from PubChem (CID 163896456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).