2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine

C14H22N2O2S — CID 175652389

IUPAC2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
SMILESCCS(=O)(=O)N1CCCC(Cc2cccc(C)n2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-9-5-7-13(11-16)10-14-8-4-6-12(2)15-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3
InChIKeyAEQCFWGAGLCMHD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds4

About 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine

2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine (PubChem CID 175652389) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
PubChem CID175652389
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
SMILESCCS(=O)(=O)N1CCCC(Cc2cccc(C)n2)C1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-9-5-7-13(11-16)10-14-8-4-6-12(2)15-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3
InChIKeyAEQCFWGAGLCMHD-UHFFFAOYSA-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-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
CID 124942398
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 125023556
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine?
The IUPAC name of 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine (CID 175652389) is 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine is CCS(=O)(=O)N1CCCC(Cc2cccc(C)n2)C1.
What is the InChIKey of 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine?
The InChIKey is AEQCFWGAGLCMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-9-5-7-13(11-16)10-14-8-4-6-12(2)15-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine?
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-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 2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine is sourced from PubChem (CID 175652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).