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

C12H18N2OS — CID 97166366

IUPAC4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccncc1)C[C@@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-,16+/m1/s1
InChIKeyWSIYGKLMPOWGRV-WBMJQRKESA-N
MW238.36 g/mol
LogP1.33
Rot. Bonds4

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

4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine (PubChem CID 97166366) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
PubChem CID97166366
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccncc1)C[C@@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-,16+/m1/s1
InChIKeyWSIYGKLMPOWGRV-WBMJQRKESA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine
CID 97166460
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
2-chloro-5-[[(S)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97163622
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
tert-butyl (3S)-3-[[(R)-pyridin-4-ylmethylsulfinyl]methyl]piperidine-1-carboxylate
CID 97172646
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103

Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine?
The IUPAC name of 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine (CID 97166366) is 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine.
What is the SMILES notation for 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine?
The canonical SMILES for 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine is O=[S@@](Cc1ccncc1)C[C@@H]1CCCNC1.
What is the InChIKey of 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine?
The InChIKey is WSIYGKLMPOWGRV-WBMJQRKESA-N. The full InChI is InChI=1S/C12H18N2OS/c15-16(9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-,16+/m1/s1.
What are the key properties of 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine?
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine has a molecular weight of 238.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine is sourced from PubChem (CID 97166366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).