4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine

C12H18N2O2S — CID 97165941

IUPAC4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1ccncc1)C[C@@H]1CCCCN1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-4-7-13-8-5-11)10-12-3-1-2-6-14-12/h4-5,7-8,12,14H,1-3,6,9-10H2/t12-/m0/s1
InChIKeyLUCYOQJIEXWOHT-LBPRGKRZSA-N
MW254.35 g/mol
LogP1.14
Rot. Bonds4

About 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine

4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine (PubChem CID 97165941) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine.

Molecular Properties

Compound Name4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
PubChem CID97165941
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
SMILESO=S(=O)(Cc1ccncc1)C[C@@H]1CCCCN1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-11-4-7-13-8-5-11)10-12-3-1-2-6-14-12/h4-5,7-8,12,14H,1-3,6,9-10H2/t12-/m0/s1
InChIKeyLUCYOQJIEXWOHT-LBPRGKRZSA-N
XLogP1.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
CID 71646100
5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645728
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
CID 106936342
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine?
The IUPAC name of 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine (CID 97165941) is 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine.
What is the SMILES notation for 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine?
The canonical SMILES for 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine is O=S(=O)(Cc1ccncc1)C[C@@H]1CCCCN1.
What is the InChIKey of 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine?
The InChIKey is LUCYOQJIEXWOHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,9-11-4-7-13-8-5-11)10-12-3-1-2-6-14-12/h4-5,7-8,12,14H,1-3,6,9-10H2/t12-/m0/s1.
What are the key properties of 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine?
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine has a molecular weight of 254.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine is sourced from PubChem (CID 97165941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).