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

C9H12N4O2S — CID 106337732

IUPAC2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cccnc1C#N
InChIInChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-8-3-2-4-12-9(8)7-10/h2-4,11,13H,5-6H2,1H3
InChIKeyKQPNRHOTZXYULG-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.09
Rot. Bonds5

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

2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 106337732) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID106337732
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cccnc1C#N
InChIInChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-8-3-2-4-12-9(8)7-10/h2-4,11,13H,5-6H2,1H3
InChIKeyKQPNRHOTZXYULG-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-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
CID 106339198
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359
3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103007002
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide (CID 106337732) is 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cccnc1C#N.
What is the InChIKey of 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is KQPNRHOTZXYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-11-16(14,15)6-5-13-8-3-2-4-12-9(8)7-10/h2-4,11,13H,5-6H2,1H3.
What are the key properties of 2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(2-cyano-3-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-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).