2-(3-methylbutan-2-ylsulfanyl)pyridine

C10H15NS — CID 20674333

IUPAC2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC(C)C(C)Sc1ccccn1
InChIInChI=1S/C10H15NS/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-9H,1-3H3
InChIKeyXOILWIRJKNXBET-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfanyl)pyridine

2-(3-methylbutan-2-ylsulfanyl)pyridine (PubChem CID 20674333) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)pyridine
PubChem CID20674333
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC(C)C(C)Sc1ccccn1
InChIInChI=1S/C10H15NS/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-9H,1-3H3
InChIKeyXOILWIRJKNXBET-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutan-2-ylsulfanyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
4-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61263896
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
3-methyl-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
CID 51932779
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
CID 22764664
3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
CID 104842239
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyridine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyridine (CID 20674333) is 2-(3-methylbutan-2-ylsulfanyl)pyridine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)pyridine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)pyridine is CC(C)C(C)Sc1ccccn1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)pyridine?
The InChIKey is XOILWIRJKNXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-9H,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)pyridine?
2-(3-methylbutan-2-ylsulfanyl)pyridine has a molecular weight of 181.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)pyridine is sourced from PubChem (CID 20674333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).