2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile

C11H15N3O2S — CID 113412232

IUPAC2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCNc1nccc(C)c1C#N
InChIInChI=1S/C11H15N3O2S/c1-3-17(15,16)7-6-14-11-10(8-12)9(2)4-5-13-11/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyVBWJRDUJUGJEEI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.11
Rot. Bonds5

About 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile

2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 113412232) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
PubChem CID113412232
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCNc1nccc(C)c1C#N
InChIInChI=1S/C11H15N3O2S/c1-3-17(15,16)7-6-14-11-10(8-12)9(2)4-5-13-11/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyVBWJRDUJUGJEEI-UHFFFAOYSA-N
XLogP1.11
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile (CID 113412232) is 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile is CCS(=O)(=O)CCNc1nccc(C)c1C#N.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is VBWJRDUJUGJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-17(15,16)7-6-14-11-10(8-12)9(2)4-5-13-11/h4-5H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile?
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 253.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 113412232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).