2-cyano-2-methylsulfonylacetamide

C4H6N2O3S — CID 71352728

IUPAC2-cyano-2-methylsulfonylacetamide
SMILESCS(=O)(=O)C(C#N)C(N)=O
InChIInChI=1S/C4H6N2O3S/c1-10(8,9)3(2-5)4(6)7/h3H,1H3,(H2,6,7)
InChIKeyPGJDSPYDHRNJJA-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.59
Rot. Bonds2

About 2-cyano-2-methylsulfonylacetamide

2-cyano-2-methylsulfonylacetamide (PubChem CID 71352728) has the molecular formula C4H6N2O3S and a molecular weight of 162.17 g/mol. Its IUPAC name is 2-cyano-2-methylsulfonylacetamide.

Molecular Properties

Compound Name2-cyano-2-methylsulfonylacetamide
PubChem CID71352728
Molecular FormulaC4H6N2O3S
Molecular Weight162.17 g/mol
Exact Mass162.01
IUPAC Name2-cyano-2-methylsulfonylacetamide
SMILESCS(=O)(=O)C(C#N)C(N)=O
InChIInChI=1S/C4H6N2O3S/c1-10(8,9)3(2-5)4(6)7/h3H,1H3,(H2,6,7)
InChIKeyPGJDSPYDHRNJJA-UHFFFAOYSA-N
XLogP-1.59
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dicyano-3,3-dimethylpentanediamide
CID 4230422
3-methyl-2-methylsulfonylbutanamide
CID 123985675
2-methylsulfonylpropanedinitrile;hydrochloride
CID 22618364
2-cyano-2-(dimethylamino)acetamide
CID 87781321
2-iodo-2-methylsulfonylacetonitrile
CID 102550581
(2R)-2-bromo-2-methylsulfonylacetonitrile
CID 99110560
(2S)-2-acetamido-2-cyanoacetamide
CID 728882
2-cyano-3-oxopentanamide
CID 174475780
2-methylsulfonylpentanamide
CID 87057703
2,4-dicyano-3-ethylpentanediamide
CID 10013275
4-amino-2-methylsulfonylbutanamide
CID 57014350
3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
CID 106277324

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methylsulfonylacetamide?
The IUPAC name of 2-cyano-2-methylsulfonylacetamide (CID 71352728) is 2-cyano-2-methylsulfonylacetamide.
What is the SMILES notation for 2-cyano-2-methylsulfonylacetamide?
The canonical SMILES for 2-cyano-2-methylsulfonylacetamide is CS(=O)(=O)C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-2-methylsulfonylacetamide?
The InChIKey is PGJDSPYDHRNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3S/c1-10(8,9)3(2-5)4(6)7/h3H,1H3,(H2,6,7).
What are the key properties of 2-cyano-2-methylsulfonylacetamide?
2-cyano-2-methylsulfonylacetamide has a molecular weight of 162.17 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methylsulfonylacetamide is sourced from PubChem (CID 71352728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).