5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine

C14H22N2O2S — CID 124942398

IUPAC5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
SMILESCCS(=O)(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-8-4-5-14(11-16)9-13-7-6-12(2)15-10-13/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyAUQFUGDWGBBHJE-AWEZNQCLSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds4

About 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine

5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine (PubChem CID 124942398) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
PubChem CID124942398
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
SMILESCCS(=O)(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-8-4-5-14(11-16)9-13-7-6-12(2)15-10-13/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyAUQFUGDWGBBHJE-AWEZNQCLSA-N
XLogP1.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]methyl]pyridine
CID 124951672
2-methyl-5-[[1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]methyl]pyridine
CID 110103469
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine?
The IUPAC name of 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine (CID 124942398) is 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine is CCS(=O)(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1.
What is the InChIKey of 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine?
The InChIKey is AUQFUGDWGBBHJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-8-4-5-14(11-16)9-13-7-6-12(2)15-10-13/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine?
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine has a molecular weight of 282.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 124942398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).