4-(piperidin-2-ylmethylsulfinylmethyl)pyridine

C12H18N2OS — CID 71646100

IUPAC4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
SMILESO=S(Cc1ccncc1)CC1CCCCN1
InChIInChI=1S/C12H18N2OS/c15-16(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
InChIKeyAWIJXBQBGOELJV-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.47
Rot. Bonds4

About 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine

4-(piperidin-2-ylmethylsulfinylmethyl)pyridine (PubChem CID 71646100) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
PubChem CID71646100
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
SMILESO=S(Cc1ccncc1)CC1CCCCN1
InChIInChI=1S/C12H18N2OS/c15-16(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
InChIKeyAWIJXBQBGOELJV-UHFFFAOYSA-N
XLogP1.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166301
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240
2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
2-chloro-5-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163900
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine?
The IUPAC name of 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine (CID 71646100) is 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine.
What is the SMILES notation for 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine?
The canonical SMILES for 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine is O=S(Cc1ccncc1)CC1CCCCN1.
What is the InChIKey of 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine?
The InChIKey is AWIJXBQBGOELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-16(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.
What are the key properties of 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine?
4-(piperidin-2-ylmethylsulfinylmethyl)pyridine has a molecular weight of 238.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethylsulfinylmethyl)pyridine is sourced from PubChem (CID 71646100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).