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

C11H16N2OS — CID 97166321

IUPAC2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
SMILESO=[S@@](C[C@@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C11H16N2OS/c14-15(11-5-1-2-7-13-11)9-10-4-3-6-12-8-10/h1-2,5,7,10,12H,3-4,6,8-9H2/t10-,15+/m1/s1
InChIKeyYNXMROIANKSQMV-BMIGLBTASA-N
MW224.33 g/mol
LogP1.19
Rot. Bonds3

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

2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine (PubChem CID 97166321) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine.

Molecular Properties

Compound Name2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
PubChem CID97166321
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
SMILESO=[S@@](C[C@@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C11H16N2OS/c14-15(11-5-1-2-7-13-11)9-10-4-3-6-12-8-10/h1-2,5,7,10,12H,3-4,6,8-9H2/t10-,15+/m1/s1
InChIKeyYNXMROIANKSQMV-BMIGLBTASA-N
XLogP1.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The IUPAC name of 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine (CID 97166321) is 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine.
What is the SMILES notation for 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The canonical SMILES for 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine is O=[S@@](C[C@@H]1CCCNC1)c1ccccn1.
What is the InChIKey of 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The InChIKey is YNXMROIANKSQMV-BMIGLBTASA-N. The full InChI is InChI=1S/C11H16N2OS/c14-15(11-5-1-2-7-13-11)9-10-4-3-6-12-8-10/h1-2,5,7,10,12H,3-4,6,8-9H2/t10-,15+/m1/s1.
What are the key properties of 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine has a molecular weight of 224.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine is sourced from PubChem (CID 97166321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).