N-(1-cyanoethyl)-2-methylsulfonylacetamide

C6H10N2O3S — CID 62399547

IUPACN-(1-cyanoethyl)-2-methylsulfonylacetamide
SMILESCC(C#N)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-5(3-7)8-6(9)4-12(2,10)11/h5H,4H2,1-2H3,(H,8,9)
InChIKeyPWHDDURYHWKGIJ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.94
Rot. Bonds3

About N-(1-cyanoethyl)-2-methylsulfonylacetamide

N-(1-cyanoethyl)-2-methylsulfonylacetamide (PubChem CID 62399547) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-methylsulfonylacetamide
PubChem CID62399547
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC NameN-(1-cyanoethyl)-2-methylsulfonylacetamide
SMILESCC(C#N)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H10N2O3S/c1-5(3-7)8-6(9)4-12(2,10)11/h5H,4H2,1-2H3,(H,8,9)
InChIKeyPWHDDURYHWKGIJ-UHFFFAOYSA-N
XLogP-0.94
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanoethyl)butanamide
CID 61120062
N-cyano-2-methylsulfonylacetamide
CID 79194963
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
N-methyl-2-methylsulfonylacetamide
CID 58808409
1-cyanoethylurea
CID 61124202
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide
CID 90347351
methyl N-[(1S)-1-cyanoethyl]carbamate
CID 130636664
tert-butyl N-[1-(1-cyanoethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 87927484
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
3-methyl-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 81064138

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(1-cyanoethyl)-2-methylsulfonylacetamide (CID 62399547) is N-(1-cyanoethyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(1-cyanoethyl)-2-methylsulfonylacetamide is CC(C#N)NC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-cyanoethyl)-2-methylsulfonylacetamide?
The InChIKey is PWHDDURYHWKGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-5(3-7)8-6(9)4-12(2,10)11/h5H,4H2,1-2H3,(H,8,9).
What are the key properties of N-(1-cyanoethyl)-2-methylsulfonylacetamide?
N-(1-cyanoethyl)-2-methylsulfonylacetamide has a molecular weight of 190.22 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 62399547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).