4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine

C12H18N2OS — CID 97166460

IUPAC4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccncc1)CC1CCNCC1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-1-5-13-6-2-11)10-12-3-7-14-8-4-12/h1-2,5-6,12,14H,3-4,7-10H2/t16-/m0/s1
InChIKeyBBEGHBCEDABEIY-INIZCTEOSA-N
MW238.36 g/mol
LogP1.33
Rot. Bonds4

About 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine

4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine (PubChem CID 97166460) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine
PubChem CID97166460
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccncc1)CC1CCNCC1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-1-5-13-6-2-11)10-12-3-7-14-8-4-12/h1-2,5-6,12,14H,3-4,7-10H2/t16-/m0/s1
InChIKeyBBEGHBCEDABEIY-INIZCTEOSA-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)-piperidin-4-ylmethylsulfinyl]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

Aprikalim
CID 9571083
4-(2-(Benzylthio)ethyl)pyridine
CID 210230
1-((Pyridin-4-yl)methyl)piperazine
CID 808715
4,4'-(Dithiodimethylene)dipyridine
CID 199500
N-(4-Pyridinylmethyl)-1-piperazineethanamine
CID 248754
(1S,2R)-N-Methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
CID 9690110
Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-
CID 2058447
Pyridine, 4,4'-(2,5-dihydro-1,3,4-thiadiazole-2,5-diyl)bis-
CID 40959
4-(4-Piperidyl)pyridine
CID 1139597
Phenyl 4-pyridylmethyl sulfone
CID 3765034
Ethanethioic acid, S-[2-(4-pyridinyl)ethyl] ester
CID 1521763
1-[2-(4-Pyridinyl)ethyl]piperazine
CID 558685

Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine?
The IUPAC name of 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine (CID 97166460) is 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine.
What is the SMILES notation for 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine?
The canonical SMILES for 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine is O=[S@@](Cc1ccncc1)CC1CCNCC1.
What is the InChIKey of 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine?
The InChIKey is BBEGHBCEDABEIY-INIZCTEOSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-16(9-11-1-5-13-6-2-11)10-12-3-7-14-8-4-12/h1-2,5-6,12,14H,3-4,7-10H2/t16-/m0/s1.
What are the key properties of 4-[[(R)-piperidin-4-ylmethylsulfinyl]methyl]pyridine?
4-[[(R)-piperidin-4-ylmethylsulfinyl]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)-piperidin-4-ylmethylsulfinyl]methyl]pyridine is sourced from PubChem (CID 97166460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).