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

C11H17ClN2OS — CID 71646077

IUPAC2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCCCN1)c1ccccn1
InChIInChI=1S/C11H16N2OS.ClH/c14-15(11-6-2-4-8-13-11)9-10-5-1-3-7-12-10;/h2,4,6,8,10,12H,1,3,5,7,9H2;1H
InChIKeyUQEBJYAXXZZOEU-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.75
Rot. Bonds3

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

2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride (PubChem CID 71646077) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
PubChem CID71646077
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
SMILESCl.O=S(CC1CCCCN1)c1ccccn1
InChIInChI=1S/C11H16N2OS.ClH/c14-15(11-6-2-4-8-13-11)9-10-5-1-3-7-12-10;/h2,4,6,8,10,12H,1,3,5,7,9H2;1H
InChIKeyUQEBJYAXXZZOEU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97178213
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71636431
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The IUPAC name of 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride (CID 71646077) is 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The canonical SMILES for 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride is Cl.O=S(CC1CCCCN1)c1ccccn1.
What is the InChIKey of 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
The InChIKey is UQEBJYAXXZZOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c14-15(11-6-2-4-8-13-11)9-10-5-1-3-7-12-10;/h2,4,6,8,10,12H,1,3,5,7,9H2;1H.
What are the key properties of 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride?
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride is sourced from PubChem (CID 71646077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).