2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride

C11H17ClN2OS — CID 71646197

IUPAC2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCNCC1)c1ccccn1
InChIInChI=1S/C11H16N2OS.ClH/c14-15(11-3-1-2-6-13-11)9-10-4-7-12-8-5-10;/h1-3,6,10,12H,4-5,7-9H2;1H
InChIKeyAQLKRMQFABBLPD-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.61
Rot. Bonds3

About 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride

2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride (PubChem CID 71646197) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
PubChem CID71646197
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCNCC1)c1ccccn1
InChIInChI=1S/C11H16N2OS.ClH/c14-15(11-3-1-2-6-13-11)9-10-4-7-12-8-5-10;/h1-3,6,10,12H,4-5,7-9H2;1H
InChIKeyAQLKRMQFABBLPD-UHFFFAOYSA-N
XLogP1.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
CID 97162928
2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
CID 97166435
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride (CID 71646197) is 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride is Cl.O=S(CC1CCNCC1)c1ccccn1.
What is the InChIKey of 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride?
The InChIKey is AQLKRMQFABBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c14-15(11-3-1-2-6-13-11)9-10-4-7-12-8-5-10;/h1-3,6,10,12H,4-5,7-9H2;1H.
What are the key properties of 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride?
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride is sourced from PubChem (CID 71646197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).