4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine

C11H16N2S — CID 71637133

IUPAC4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
SMILESc1cc(CSCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2S/c1-4-12-5-2-10(1)8-14-9-11-3-6-13-7-11/h1-2,4-5,11,13H,3,6-9H2
InChIKeyURBMULWLPOABHG-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.92
Rot. Bonds4

About 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine

4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine (PubChem CID 71637133) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
PubChem CID71637133
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
SMILESc1cc(CSCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2S/c1-4-12-5-2-10(1)8-14-9-11-3-6-13-7-11/h1-2,4-5,11,13H,3,6-9H2
InChIKeyURBMULWLPOABHG-UHFFFAOYSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826
2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483
3-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070736
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112
4-(azepan-4-ylmethylsulfanylmethyl)phenol
CID 115070892
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine?
The IUPAC name of 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine (CID 71637133) is 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine?
The canonical SMILES for 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine is c1cc(CSCC2CCNC2)ccn1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine?
The InChIKey is URBMULWLPOABHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-12-5-2-10(1)8-14-9-11-3-6-13-7-11/h1-2,4-5,11,13H,3,6-9H2.
What are the key properties of 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine?
4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine has a molecular weight of 208.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine is sourced from PubChem (CID 71637133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).