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

C12H21NS — CID 91356772

IUPACethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC.CC(C)C(C)Sc1ccccn1
InChIInChI=1S/C10H15NS.C2H6/c1-8(2)9(3)12-10-6-4-5-7-11-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyVYJZZLIFTBGTKN-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.24
Rot. Bonds3

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

ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine (PubChem CID 91356772) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Nameethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
PubChem CID91356772
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Nameethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
SMILESCC.CC(C)C(C)Sc1ccccn1
InChIInChI=1S/C10H15NS.C2H6/c1-8(2)9(3)12-10-6-4-5-7-11-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyVYJZZLIFTBGTKN-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;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

2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
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
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
CID 22764664
3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
CID 104842239
3-methyl-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
CID 51932779
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine?
The IUPAC name of ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine (CID 91356772) is ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine.
What is the SMILES notation for ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine?
The canonical SMILES for ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine is CC.CC(C)C(C)Sc1ccccn1.
What is the InChIKey of ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine?
The InChIKey is VYJZZLIFTBGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.C2H6/c1-8(2)9(3)12-10-6-4-5-7-11-10;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine?
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine has a molecular weight of 211.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine is sourced from PubChem (CID 91356772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).