3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile

C10H12N2S — CID 126661684

IUPAC3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile
SMILESCSC(CC#N)c1cncc(C)c1
InChIInChI=1S/C10H12N2S/c1-8-5-9(7-12-6-8)10(13-2)3-4-11/h5-7,10H,3H2,1-2H3
InChIKeyHMMZAHJAAHXPFM-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.71
Rot. Bonds3

About 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile

3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile (PubChem CID 126661684) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile
PubChem CID126661684
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile
SMILESCSC(CC#N)c1cncc(C)c1
InChIInChI=1S/C10H12N2S/c1-8-5-9(7-12-6-8)10(13-2)3-4-11/h5-7,10H,3H2,1-2H3
InChIKeyHMMZAHJAAHXPFM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile (CID 126661684) is 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile is CSC(CC#N)c1cncc(C)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile?
The InChIKey is HMMZAHJAAHXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8-5-9(7-12-6-8)10(13-2)3-4-11/h5-7,10H,3H2,1-2H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile?
3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile has a molecular weight of 192.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile is sourced from PubChem (CID 126661684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).