2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide

C9H12N4O2S — CID 102675423

IUPAC2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncccc1C#N
InChIInChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-9-8(7-10)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H,12,13)
InChIKeyZDPRFXAQDRUXPE-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.09
Rot. Bonds5

About 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide

2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 102675423) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID102675423
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncccc1C#N
InChIInChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-9-8(7-10)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H,12,13)
InChIKeyZDPRFXAQDRUXPE-UHFFFAOYSA-N
XLogP-0.09
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide (CID 102675423) is 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncccc1C#N.
What is the InChIKey of 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is ZDPRFXAQDRUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-9-8(7-10)3-2-4-12-9/h2-4,11H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 240.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).