5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine

C12H18N2OS — CID 97162928

IUPAC5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
SMILESCc1ccc([S@](=O)CC2CCNCC2)nc1
InChIInChI=1S/C12H18N2OS/c1-10-2-3-12(14-8-10)16(15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3/t16-/m1/s1
InChIKeyZDYKZFNZCCTZLN-MRXNPFEDSA-N
MW238.36 g/mol
LogP1.50
Rot. Bonds3

About 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine

5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine (PubChem CID 97162928) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
PubChem CID97162928
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
SMILESCc1ccc([S@](=O)CC2CCNCC2)nc1
InChIInChI=1S/C12H18N2OS/c1-10-2-3-12(14-8-10)16(15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3/t16-/m1/s1
InChIKeyZDYKZFNZCCTZLN-MRXNPFEDSA-N
XLogP1.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
CID 97166435
5-methyl-N-(2-piperidin-4-ylethyl)pyridin-2-amine
CID 83837473
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine?
The IUPAC name of 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine (CID 97162928) is 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine.
What is the SMILES notation for 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine?
The canonical SMILES for 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine is Cc1ccc([S@](=O)CC2CCNCC2)nc1.
What is the InChIKey of 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine?
The InChIKey is ZDYKZFNZCCTZLN-MRXNPFEDSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-2-3-12(14-8-10)16(15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3/t16-/m1/s1.
What are the key properties of 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine?
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine has a molecular weight of 238.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine is sourced from PubChem (CID 97162928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).