4-(piperidin-3-ylmethylsulfinylmethyl)pyridine

C12H18N2OS — CID 71646160

IUPAC4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
SMILESO=S(Cc1ccncc1)CC1CCCNC1
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
InChIKeyWSIYGKLMPOWGRV-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.33
Rot. Bonds4

About 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine

4-(piperidin-3-ylmethylsulfinylmethyl)pyridine (PubChem CID 71646160) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine.

Molecular Properties

Compound Name4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
PubChem CID71646160
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
SMILESO=S(Cc1ccncc1)CC1CCCNC1
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
InChIKeyWSIYGKLMPOWGRV-UHFFFAOYSA-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

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Related Compounds

4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
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-(piperidin-3-ylmethylsulfinylmethyl)pyridine?
The IUPAC name of 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine (CID 71646160) is 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine.
What is the SMILES notation for 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine?
The canonical SMILES for 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine is O=S(Cc1ccncc1)CC1CCCNC1.
What is the InChIKey of 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine?
The InChIKey is WSIYGKLMPOWGRV-UHFFFAOYSA-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.
What are the key properties of 4-(piperidin-3-ylmethylsulfinylmethyl)pyridine?
4-(piperidin-3-ylmethylsulfinylmethyl)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-(piperidin-3-ylmethylsulfinylmethyl)pyridine is sourced from PubChem (CID 71646160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).