2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile

C9H11N3O2S — CID 60917893

IUPAC2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
SMILESCS(=O)(=O)CCNc1cc(C#N)ccn1
InChIInChI=1S/C9H11N3O2S/c1-15(13,14)5-4-12-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyPSTXLFDGGIAXIQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.41
Rot. Bonds4

About 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile

2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile (PubChem CID 60917893) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
PubChem CID60917893
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
SMILESCS(=O)(=O)CCNc1cc(C#N)ccn1
InChIInChI=1S/C9H11N3O2S/c1-15(13,14)5-4-12-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyPSTXLFDGGIAXIQ-UHFFFAOYSA-N
XLogP0.41
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 24702082
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile (CID 60917893) is 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile is CS(=O)(=O)CCNc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile?
The InChIKey is PSTXLFDGGIAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-15(13,14)5-4-12-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile?
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile has a molecular weight of 225.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 60917893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).