2-[cyanomethylsulfonyl(ethyl)amino]acetamide

C6H11N3O3S — CID 103102496

IUPAC2-[cyanomethylsulfonyl(ethyl)amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)CC#N
InChIInChI=1S/C6H11N3O3S/c1-2-9(5-6(8)10)13(11,12)4-3-7/h2,4-5H2,1H3,(H2,8,10)
InChIKeyPWJORYPDJSAHKL-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.35
Rot. Bonds5

About 2-[cyanomethylsulfonyl(ethyl)amino]acetamide

2-[cyanomethylsulfonyl(ethyl)amino]acetamide (PubChem CID 103102496) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-[cyanomethylsulfonyl(ethyl)amino]acetamide.

Molecular Properties

Compound Name2-[cyanomethylsulfonyl(ethyl)amino]acetamide
PubChem CID103102496
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name2-[cyanomethylsulfonyl(ethyl)amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)CC#N
InChIInChI=1S/C6H11N3O3S/c1-2-9(5-6(8)10)13(11,12)4-3-7/h2,4-5H2,1H3,(H2,8,10)
InChIKeyPWJORYPDJSAHKL-UHFFFAOYSA-N
XLogP-1.35
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387334
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101618
2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
CID 15118177
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[(2-amino-2-oxoethyl)-(dimethylsulfamoyl)amino]acetic acid
CID 107435768
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
CID 107435665
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethylsulfonyl(ethyl)amino]acetamide?
The IUPAC name of 2-[cyanomethylsulfonyl(ethyl)amino]acetamide (CID 103102496) is 2-[cyanomethylsulfonyl(ethyl)amino]acetamide.
What is the SMILES notation for 2-[cyanomethylsulfonyl(ethyl)amino]acetamide?
The canonical SMILES for 2-[cyanomethylsulfonyl(ethyl)amino]acetamide is CCN(CC(N)=O)S(=O)(=O)CC#N.
What is the InChIKey of 2-[cyanomethylsulfonyl(ethyl)amino]acetamide?
The InChIKey is PWJORYPDJSAHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-2-9(5-6(8)10)13(11,12)4-3-7/h2,4-5H2,1H3,(H2,8,10).
What are the key properties of 2-[cyanomethylsulfonyl(ethyl)amino]acetamide?
2-[cyanomethylsulfonyl(ethyl)amino]acetamide has a molecular weight of 205.24 g/mol, XLogP of -1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethylsulfonyl(ethyl)amino]acetamide is sourced from PubChem (CID 103102496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).