2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile

C11H15N3O2S — CID 133386763

IUPAC2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-9(5-7-17(2,15)16)14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7H2,1-2H3,(H,13,14)
InChIKeyCVPJMGBKVBVUSG-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.19
Rot. Bonds5

About 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile

2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 133386763) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
PubChem CID133386763
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1C#N
InChIInChI=1S/C11H15N3O2S/c1-9(5-7-17(2,15)16)14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7H2,1-2H3,(H,13,14)
InChIKeyCVPJMGBKVBVUSG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 95292896
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
2-chloropyridine-3-carbonitrile;N-(3-cyano-2-pyridinyl)methanesulfonamide
CID 158201741
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile
CID 115899405

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile (CID 133386763) is 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile is CC(CCS(C)(=O)=O)Nc1ncccc1C#N.
What is the InChIKey of 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is CVPJMGBKVBVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-9(5-7-17(2,15)16)14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile?
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 253.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 133386763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).