2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile

C11H15N3O2S — CID 79563043

IUPAC2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(CNc1ncccc1C#N)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-11(2,17(3,15)16)8-14-10-9(7-12)5-4-6-13-10/h4-6H,8H2,1-3H3,(H,13,14)
InChIKeySIJAAXKWOCWEQR-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile

2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 79563043) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
PubChem CID79563043
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(CNc1ncccc1C#N)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-11(2,17(3,15)16)8-14-10-9(7-12)5-4-6-13-10/h4-6H,8H2,1-3H3,(H,13,14)
InChIKeySIJAAXKWOCWEQR-UHFFFAOYSA-N
XLogP1.19
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile
CID 82814232
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
2-chloropyridine-3-carbonitrile;N-(3-cyano-2-pyridinyl)methanesulfonamide
CID 158201741
2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 133353245

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile (CID 79563043) is 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile is CC(C)(CNc1ncccc1C#N)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is SIJAAXKWOCWEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,17(3,15)16)8-14-10-9(7-12)5-4-6-13-10/h4-6H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile?
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 253.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79563043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).