N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide

C9H11N3O2S — CID 59939151

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(C)c(C#N)c(NS(C)(=O)=O)n1
InChIInChI=1S/C9H11N3O2S/c1-6-4-7(2)11-9(8(6)5-10)12-15(3,13)14/h4H,1-3H3,(H,11,12)
InChIKeyFXNOVANXEKOMJF-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.94
Rot. Bonds2

About N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide

N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide (PubChem CID 59939151) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide
PubChem CID59939151
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(C)c(C#N)c(NS(C)(=O)=O)n1
InChIInChI=1S/C9H11N3O2S/c1-6-4-7(2)11-9(8(6)5-10)12-15(3,13)14/h4H,1-3H3,(H,11,12)
InChIKeyFXNOVANXEKOMJF-UHFFFAOYSA-N
XLogP0.94
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide (CID 59939151) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide is Cc1cc(C)c(C#N)c(NS(C)(=O)=O)n1.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide?
The InChIKey is FXNOVANXEKOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-6-4-7(2)11-9(8(6)5-10)12-15(3,13)14/h4H,1-3H3,(H,11,12).
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 59939151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).