2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine

C11H16N2OS — CID 97166419

IUPAC2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@](Cc1ccccn1)C[C@H]1CCNC1
InChIInChI=1S/C11H16N2OS/c14-15(8-10-4-6-12-7-10)9-11-3-1-2-5-13-11/h1-3,5,10,12H,4,6-9H2/t10-,15-/m0/s1
InChIKeyIONLBQQPNWICFZ-BONVTDFDSA-N
MW224.33 g/mol
LogP0.94
Rot. Bonds4

About 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine

2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine (PubChem CID 97166419) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
PubChem CID97166419
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
SMILESO=[S@](Cc1ccccn1)C[C@H]1CCNC1
InChIInChI=1S/C11H16N2OS/c14-15(8-10-4-6-12-7-10)9-11-3-1-2-5-13-11/h1-3,5,10,12H,4,6-9H2/t10-,15-/m0/s1
InChIKeyIONLBQQPNWICFZ-BONVTDFDSA-N
XLogP0.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240
2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
2-chloro-5-[[(S)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97163622
2-[2-(pyrrolidin-3-ylmethoxy)ethyl]pyridine
CID 62371245
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine?
The IUPAC name of 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine (CID 97166419) is 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine.
What is the SMILES notation for 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine?
The canonical SMILES for 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine is O=[S@](Cc1ccccn1)C[C@H]1CCNC1.
What is the InChIKey of 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine?
The InChIKey is IONLBQQPNWICFZ-BONVTDFDSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-15(8-10-4-6-12-7-10)9-11-3-1-2-5-13-11/h1-3,5,10,12H,4,6-9H2/t10-,15-/m0/s1.
What are the key properties of 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine?
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine has a molecular weight of 224.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine is sourced from PubChem (CID 97166419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).