4-(piperidin-4-ylsulfonylmethyl)pyridine

C11H16N2O2S — CID 71645638

IUPAC4-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccncc1)C1CCNCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,11-3-7-13-8-4-11)9-10-1-5-12-6-2-10/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyCLMBOMWBUWWJGR-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.75
Rot. Bonds3

About 4-(piperidin-4-ylsulfonylmethyl)pyridine

4-(piperidin-4-ylsulfonylmethyl)pyridine (PubChem CID 71645638) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(piperidin-4-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name4-(piperidin-4-ylsulfonylmethyl)pyridine
PubChem CID71645638
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccncc1)C1CCNCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,11-3-7-13-8-4-11)9-10-1-5-12-6-2-10/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyCLMBOMWBUWWJGR-UHFFFAOYSA-N
XLogP0.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608
N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
CID 71641545
2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71639933
4-[(4-nitrophenyl)methylsulfonyl]piperidine;hydrochloride
CID 177197384
4-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 71645560
2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 167894950
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
CID 167386346
2-(piperidin-4-ylsulfonylmethyl)benzonitrile
CID 82181326
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine
CID 97166460
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylsulfonylmethyl)pyridine?
The IUPAC name of 4-(piperidin-4-ylsulfonylmethyl)pyridine (CID 71645638) is 4-(piperidin-4-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 4-(piperidin-4-ylsulfonylmethyl)pyridine?
The canonical SMILES for 4-(piperidin-4-ylsulfonylmethyl)pyridine is O=S(=O)(Cc1ccncc1)C1CCNCC1.
What is the InChIKey of 4-(piperidin-4-ylsulfonylmethyl)pyridine?
The InChIKey is CLMBOMWBUWWJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-16(15,11-3-7-13-8-4-11)9-10-1-5-12-6-2-10/h1-2,5-6,11,13H,3-4,7-9H2.
What are the key properties of 4-(piperidin-4-ylsulfonylmethyl)pyridine?
4-(piperidin-4-ylsulfonylmethyl)pyridine has a molecular weight of 240.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 71645638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).