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

C12H18N2OS — CID 97166240

IUPAC2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccccn1)C[C@H]1CCCCN1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-5-1-3-7-13-11)10-12-6-2-4-8-14-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,16+/m1/s1
InChIKeyBZLHGSNOSSSFKB-WBMJQRKESA-N
MW238.36 g/mol
LogP1.47
Rot. Bonds4

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

2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine (PubChem CID 97166240) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
PubChem CID97166240
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccccn1)C[C@H]1CCCCN1
InChIInChI=1S/C12H18N2OS/c15-16(9-11-5-1-3-7-13-11)10-12-6-2-4-8-14-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,16+/m1/s1
InChIKeyBZLHGSNOSSSFKB-WBMJQRKESA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
4-(piperidin-2-ylmethylsulfinylmethyl)pyridine
CID 71646100
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
2-chloro-5-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163900
3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166301
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine?
The IUPAC name of 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine (CID 97166240) is 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine.
What is the SMILES notation for 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine?
The canonical SMILES for 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine is O=[S@@](Cc1ccccn1)C[C@H]1CCCCN1.
What is the InChIKey of 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine?
The InChIKey is BZLHGSNOSSSFKB-WBMJQRKESA-N. The full InChI is InChI=1S/C12H18N2OS/c15-16(9-11-5-1-3-7-13-11)10-12-6-2-4-8-14-12/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,16+/m1/s1.
What are the key properties of 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine?
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine has a molecular weight of 238.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine is sourced from PubChem (CID 97166240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).