3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine

C11H16N2O2S — CID 110269303

IUPAC3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
SMILESCS(=O)(=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-6-4-11(9-13)7-10-3-2-5-12-8-10/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyVPLDIZAEFYEERF-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.91
Rot. Bonds3

About 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine

3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine (PubChem CID 110269303) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
PubChem CID110269303
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
SMILESCS(=O)(=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-6-4-11(9-13)7-10-3-2-5-12-8-10/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyVPLDIZAEFYEERF-UHFFFAOYSA-N
XLogP0.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
1-methylsulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium
CID 4522638
5-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 110112120

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine (CID 110269303) is 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine is CS(=O)(=O)N1CCC(Cc2cccnc2)C1.
What is the InChIKey of 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine?
The InChIKey is VPLDIZAEFYEERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13-6-4-11(9-13)7-10-3-2-5-12-8-10/h2-3,5,8,11H,4,6-7,9H2,1H3.
What are the key properties of 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine?
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine has a molecular weight of 240.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 110269303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).