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

C12H18N2OS — CID 97163051

IUPAC4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
SMILESCc1ccnc([S@@](=O)C[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H18N2OS/c1-10-4-6-14-12(7-10)16(15)9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyQIVZLAQAZARDBG-BZNIZROVSA-N
MW238.36 g/mol
LogP1.50
Rot. Bonds3

About 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine

4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine (PubChem CID 97163051) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
PubChem CID97163051
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
SMILESCc1ccnc([S@@](=O)C[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H18N2OS/c1-10-4-6-14-12(7-10)16(15)9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyQIVZLAQAZARDBG-BZNIZROVSA-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-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
6-nitro-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]quinoxaline
CID 97178132
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The IUPAC name of 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine (CID 97163051) is 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine.
What is the SMILES notation for 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The canonical SMILES for 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine is Cc1ccnc([S@@](=O)C[C@@H]2CCCNC2)c1.
What is the InChIKey of 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
The InChIKey is QIVZLAQAZARDBG-BZNIZROVSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-4-6-14-12(7-10)16(15)9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3/t11-,16+/m1/s1.
What are the key properties of 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine?
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]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 4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine is sourced from PubChem (CID 97163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).