3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine

C14H22N2O2S — CID 95845766

IUPAC3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
SMILESCC(C)S(=O)(=O)N1CCC[C@H](Cc2cccnc2)C1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)16-8-4-6-14(11-16)9-13-5-3-7-15-10-13/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyISVQZKQWAXYYHS-CQSZACIVSA-N
MW282.41 g/mol
LogP2.07
Rot. Bonds4

About 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine

3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine (PubChem CID 95845766) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
PubChem CID95845766
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
SMILESCC(C)S(=O)(=O)N1CCC[C@H](Cc2cccnc2)C1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)16-8-4-6-14(11-16)9-13-5-3-7-15-10-13/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyISVQZKQWAXYYHS-CQSZACIVSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
3-ethyl-1-propan-2-ylsulfonylpiperidine
CID 59266027
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
CID 124942398
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine
CID 59085007
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The IUPAC name of 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine (CID 95845766) is 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine is CC(C)S(=O)(=O)N1CCC[C@H](Cc2cccnc2)C1.
What is the InChIKey of 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine?
The InChIKey is ISVQZKQWAXYYHS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)19(17,18)16-8-4-6-14(11-16)9-13-5-3-7-15-10-13/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine?
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine has a molecular weight of 282.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 95845766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).