3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine

C11H17NS — CID 130337383

IUPAC3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine
SMILESCCC(C)(C)c1cncc(SC)c1
InChIInChI=1S/C11H17NS/c1-5-11(2,3)9-6-10(13-4)8-12-7-9/h6-8H,5H2,1-4H3
InChIKeyCCKJNGGSTWRSBO-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.49
Rot. Bonds3

About 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine

3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine (PubChem CID 130337383) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine
PubChem CID130337383
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine
SMILESCCC(C)(C)c1cncc(SC)c1
InChIInChI=1S/C11H17NS/c1-5-11(2,3)9-6-10(13-4)8-12-7-9/h6-8H,5H2,1-4H3
InChIKeyCCKJNGGSTWRSBO-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine?
The IUPAC name of 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine (CID 130337383) is 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine?
The canonical SMILES for 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine is CCC(C)(C)c1cncc(SC)c1.
What is the InChIKey of 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine?
The InChIKey is CCKJNGGSTWRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-11(2,3)9-6-10(13-4)8-12-7-9/h6-8H,5H2,1-4H3.
What are the key properties of 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine?
3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine has a molecular weight of 195.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine is sourced from PubChem (CID 130337383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).