N-[cyano(phenyl)methyl]methanesulfinamide

C9H10N2OS — CID 118587949

IUPACN-[cyano(phenyl)methyl]methanesulfinamide
SMILESCS(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C9H10N2OS/c1-13(12)11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyTVWDZSHYNMZAAL-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.13
Rot. Bonds3

About N-[cyano(phenyl)methyl]methanesulfinamide

N-[cyano(phenyl)methyl]methanesulfinamide (PubChem CID 118587949) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]methanesulfinamide
PubChem CID118587949
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-[cyano(phenyl)methyl]methanesulfinamide
SMILESCS(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C9H10N2OS/c1-13(12)11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyTVWDZSHYNMZAAL-UHFFFAOYSA-N
XLogP1.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[(R)-cyano(phenyl)methyl]formamide
CID 124506791
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
CID 85370731
benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]methanesulfinamide?
The IUPAC name of N-[cyano(phenyl)methyl]methanesulfinamide (CID 118587949) is N-[cyano(phenyl)methyl]methanesulfinamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]methanesulfinamide?
The canonical SMILES for N-[cyano(phenyl)methyl]methanesulfinamide is CS(=O)NC(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]methanesulfinamide?
The InChIKey is TVWDZSHYNMZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-13(12)11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3.
What are the key properties of N-[cyano(phenyl)methyl]methanesulfinamide?
N-[cyano(phenyl)methyl]methanesulfinamide has a molecular weight of 194.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]methanesulfinamide is sourced from PubChem (CID 118587949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).