(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile

C10H12N2S — CID 125486794

IUPAC(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile
SMILESCC[C@](C)(C#N)Sc1ccccn1
InChIInChI=1S/C10H12N2S/c1-3-10(2,8-11)13-9-6-4-5-7-12-9/h4-7H,3H2,1-2H3/t10-/m1/s1
InChIKeyFGNPXFCVGDWFKU-SNVBAGLBSA-N
MW192.29 g/mol
LogP2.87
Rot. Bonds3

About (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile

(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile (PubChem CID 125486794) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile
PubChem CID125486794
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile
SMILESCC[C@](C)(C#N)Sc1ccccn1
InChIInChI=1S/C10H12N2S/c1-3-10(2,8-11)13-9-6-4-5-7-12-9/h4-7H,3H2,1-2H3/t10-/m1/s1
InChIKeyFGNPXFCVGDWFKU-SNVBAGLBSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
2-methyl-N-pyridin-2-ylsulfanylbutan-2-amine
CID 21196944
2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile
CID 106805180
2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile
CID 116693137
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
ethane;2-(3,5,5-trimethylheptan-3-yldisulfanyl)pyridine
CID 170620086
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
2-cyclopropyl-2-pyridin-2-ylsulfanylpropanoic acid
CID 82238766
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile?
The IUPAC name of (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile (CID 125486794) is (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile.
What is the SMILES notation for (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile?
The canonical SMILES for (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile is CC[C@](C)(C#N)Sc1ccccn1.
What is the InChIKey of (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile?
The InChIKey is FGNPXFCVGDWFKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-10(2,8-11)13-9-6-4-5-7-12-9/h4-7H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile?
(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile has a molecular weight of 192.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 125486794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).