2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile

C11H15N3S — CID 154691480

IUPAC2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile
SMILESCCSc1cc(C(C)(C)C#N)cnc1N
InChIInChI=1S/C11H15N3S/c1-4-15-9-5-8(6-14-10(9)13)11(2,3)7-12/h5-6H,4H2,1-3H3,(H2,13,14)
InChIKeyLQHSFUKVMWHLPH-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.58
Rot. Bonds3

About 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile

2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile (PubChem CID 154691480) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile
PubChem CID154691480
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile
SMILESCCSc1cc(C(C)(C)C#N)cnc1N
InChIInChI=1S/C11H15N3S/c1-4-15-9-5-8(6-14-10(9)13)11(2,3)7-12/h5-6H,4H2,1-3H3,(H2,13,14)
InChIKeyLQHSFUKVMWHLPH-UHFFFAOYSA-N
XLogP2.58
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyanopropan-2-yl)-3-ethylsulfanylpyridine-2-carbonitrile
CID 172625485
2-(3-ethylsulfanyl-4-methylphenyl)-2-methylpropanenitrile
CID 168794824
5-(2-cyanopropan-2-yl)-3-ethylsulfanyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 156880706
2-[5-ethylsulfanyl-6-[1-methyl-2-oxo-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 156895221
5-(2-cyanopropan-2-yl)-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile
CID 172625477
2-[[6-(dihydroxymethyl)-5-ethylsulfanyl-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 166815579
2-[3-[1-[3,5-bis(2-cyanopropan-2-yl)phenyl]ethyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
CID 175009338
2-[5-ethylsulfanyl-1-oxido-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrrolo[2,3-c]pyridin-5-yl]pyridin-1-ium-3-yl]-2-methylpropanenitrile
CID 155102160
3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
CID 118392765
2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
CID 131271060
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
CID 127013942

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile (CID 154691480) is 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile is CCSc1cc(C(C)(C)C#N)cnc1N.
What is the InChIKey of 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile?
The InChIKey is LQHSFUKVMWHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-4-15-9-5-8(6-14-10(9)13)11(2,3)7-12/h5-6H,4H2,1-3H3,(H2,13,14).
What are the key properties of 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile?
2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile has a molecular weight of 221.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-ethylsulfanyl-3-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 154691480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).