N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide

C10H12N2O2S — CID 82114950

IUPACN-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(C(C#N)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N2O2S/c1-12(15(2,13)14)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyVBNJHCBUNDVEFT-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.14
Rot. Bonds3

About N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide

N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 82114950) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
PubChem CID82114950
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(C(C#N)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N2O2S/c1-12(15(2,13)14)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyVBNJHCBUNDVEFT-UHFFFAOYSA-N
XLogP1.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-phenylacetonitrile
CID 10333884
(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 28764892
[cyano(phenyl)methoxy] methanesulfonate
CID 87211740
(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile
CID 134948411
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
N-methyl-2-[methyl(methylsulfonyl)amino]-N,2-diphenylacetamide
CID 133224661
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
1-ethylsulfonylethane;2-phenylbutanenitrile
CID 174853089
2-phenyl-2-phosphanylacetonitrile
CID 174529677

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide (CID 82114950) is N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide is CN(C(C#N)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is VBNJHCBUNDVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-12(15(2,13)14)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3.
What are the key properties of N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide?
N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 82114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).