2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine

C14H22N2S — CID 102542194

IUPAC2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C14H22N2S/c1-14(2,3)17-13-8-7-11(10-15-13)12-6-5-9-16(12)4/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyCJOBJSYONVQAGN-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.74
Rot. Bonds2

About 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine

2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 102542194) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID102542194
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C14H22N2S/c1-14(2,3)17-13-8-7-11(10-15-13)12-6-5-9-16(12)4/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyCJOBJSYONVQAGN-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-tert-butylsulfanyl-3-pyridinyl)pyrrolidine-1-carbaldehyde
CID 102542195
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
5-(1-methylpyrrolidin-2-yl)-2-nitrosopyridine
CID 142692087
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
5-(1-methylpyrrolidin-2-yl)-2-pyridin-2-ylpyridine
CID 22298167
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
2-(4,5-dihydroimidazol-1-yl)-5-(1-methylpyrrolidin-2-yl)pyridine
CID 70575353
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine (CID 102542194) is 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1ccc(SC(C)(C)C)nc1.
What is the InChIKey of 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is CJOBJSYONVQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(2,3)17-13-8-7-11(10-15-13)12-6-5-9-16(12)4/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine?
2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 250.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-5-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 102542194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).