3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine

C11H16N2OS — CID 97166301

IUPAC3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@](Cc1cccnc1)C[C@@H]1CCCN1
InChIInChI=1S/C11H16N2OS/c14-15(9-11-4-2-6-13-11)8-10-3-1-5-12-7-10/h1,3,5,7,11,13H,2,4,6,8-9H2/t11-,15+/m0/s1
InChIKeyRNGWWCDJLVPGRV-XHDPSFHLSA-N
MW224.33 g/mol
LogP1.08
Rot. Bonds4

About 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine

3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine (PubChem CID 97166301) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
PubChem CID97166301
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@](Cc1cccnc1)C[C@@H]1CCCN1
InChIInChI=1S/C11H16N2OS/c14-15(9-11-4-2-6-13-11)8-10-3-1-5-12-7-10/h1,3,5,7,11,13H,2,4,6,8-9H2/t11-,15+/m0/s1
InChIKeyRNGWWCDJLVPGRV-XHDPSFHLSA-N
XLogP1.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
CID 71646100
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240
2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-(cyclopropylmethyl)-2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608618
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569

Frequently Asked Questions

What is the IUPAC name of 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine?
The IUPAC name of 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine (CID 97166301) is 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine.
What is the SMILES notation for 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine?
The canonical SMILES for 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine is O=[S@](Cc1cccnc1)C[C@@H]1CCCN1.
What is the InChIKey of 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine?
The InChIKey is RNGWWCDJLVPGRV-XHDPSFHLSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-15(9-11-4-2-6-13-11)8-10-3-1-5-12-7-10/h1,3,5,7,11,13H,2,4,6,8-9H2/t11-,15+/m0/s1.
What are the key properties of 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine?
3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine has a molecular weight of 224.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine is sourced from PubChem (CID 97166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).