5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine

C11H16N2S — CID 71638847

IUPAC5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
SMILESCc1ccc(SCC2CCCN2)nc1
InChIInChI=1S/C11H16N2S/c1-9-4-5-11(13-7-9)14-8-10-3-2-6-12-10/h4-5,7,10,12H,2-3,6,8H2,1H3
InChIKeyNJWFELKTLXSYAH-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.23
Rot. Bonds3

About 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine

5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine (PubChem CID 71638847) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
PubChem CID71638847
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
SMILESCc1ccc(SCC2CCCN2)nc1
InChIInChI=1S/C11H16N2S/c1-9-4-5-11(13-7-9)14-8-10-3-2-6-12-10/h4-5,7,10,12H,2-3,6,8H2,1H3
InChIKeyNJWFELKTLXSYAH-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 102820293
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine (CID 71638847) is 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine is Cc1ccc(SCC2CCCN2)nc1.
What is the InChIKey of 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine?
The InChIKey is NJWFELKTLXSYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-4-5-11(13-7-9)14-8-10-3-2-6-12-10/h4-5,7,10,12H,2-3,6,8H2,1H3.
What are the key properties of 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine?
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine has a molecular weight of 208.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 71638847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).