1-cyano-1-[methyl(methylsulfamoyl)amino]ethane

C5H11N3O2S — CID 114807796

IUPAC1-cyano-1-[methyl(methylsulfamoyl)amino]ethane
SMILESCNS(=O)(=O)N(C)C(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-5(4-6)8(3)11(9,10)7-2/h5,7H,1-3H3
InChIKeyOGPOSMCLECZWKO-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.71
Rot. Bonds3

About 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane

1-cyano-1-[methyl(methylsulfamoyl)amino]ethane (PubChem CID 114807796) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-cyano-1-[methyl(methylsulfamoyl)amino]ethane
PubChem CID114807796
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-cyano-1-[methyl(methylsulfamoyl)amino]ethane
SMILESCNS(=O)(=O)N(C)C(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-5(4-6)8(3)11(9,10)7-2/h5,7H,1-3H3
InChIKeyOGPOSMCLECZWKO-UHFFFAOYSA-N
XLogP-0.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane?
The IUPAC name of 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane (CID 114807796) is 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane.
What is the SMILES notation for 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane?
The canonical SMILES for 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane is CNS(=O)(=O)N(C)C(C)C#N.
What is the InChIKey of 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane?
The InChIKey is OGPOSMCLECZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-5(4-6)8(3)11(9,10)7-2/h5,7H,1-3H3.
What are the key properties of 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane?
1-cyano-1-[methyl(methylsulfamoyl)amino]ethane has a molecular weight of 177.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-[methyl(methylsulfamoyl)amino]ethane is sourced from PubChem (CID 114807796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).