2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine

C11H16N2S — CID 102925592

IUPAC2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
SMILESCc1cc(C)nc(SC2CCNC2)c1
InChIInChI=1S/C11H16N2S/c1-8-5-9(2)13-11(6-8)14-10-3-4-12-7-10/h5-6,10,12H,3-4,7H2,1-2H3
InChIKeyQOBKIEPYZHUHMF-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.15
Rot. Bonds2

About 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine

2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine (PubChem CID 102925592) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine.

Molecular Properties

Compound Name2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
PubChem CID102925592
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
SMILESCc1cc(C)nc(SC2CCNC2)c1
InChIInChI=1S/C11H16N2S/c1-8-5-9(2)13-11(6-8)14-10-3-4-12-7-10/h5-6,10,12H,3-4,7H2,1-2H3
InChIKeyQOBKIEPYZHUHMF-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
2-cyclobutylsulfanyl-4,6-dimethylpyridine
CID 126993437
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
CID 71637184
2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole
CID 62328978

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine?
The IUPAC name of 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine (CID 102925592) is 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine.
What is the SMILES notation for 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine?
The canonical SMILES for 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine is Cc1cc(C)nc(SC2CCNC2)c1.
What is the InChIKey of 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine?
The InChIKey is QOBKIEPYZHUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-5-9(2)13-11(6-8)14-10-3-4-12-7-10/h5-6,10,12H,3-4,7H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine?
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine has a molecular weight of 208.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine is sourced from PubChem (CID 102925592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).