2-cyano-2-[methyl(sulfamoyl)amino]propane

C5H11N3O2S — CID 164649630

IUPAC2-cyano-2-[methyl(sulfamoyl)amino]propane
SMILESCN(C(C)(C)C#N)S(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c1-5(2,4-6)8(3)11(7,9)10/h1-3H3,(H2,7,9,10)
InChIKeyXBNFIBHNUFZGEF-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.58
Rot. Bonds2

About 2-cyano-2-[methyl(sulfamoyl)amino]propane

2-cyano-2-[methyl(sulfamoyl)amino]propane (PubChem CID 164649630) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-cyano-2-[methyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name2-cyano-2-[methyl(sulfamoyl)amino]propane
PubChem CID164649630
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name2-cyano-2-[methyl(sulfamoyl)amino]propane
SMILESCN(C(C)(C)C#N)S(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c1-5(2,4-6)8(3)11(7,9)10/h1-3H3,(H2,7,9,10)
InChIKeyXBNFIBHNUFZGEF-UHFFFAOYSA-N
XLogP-0.58
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[methyl(sulfamoyl)amino]propane?
The IUPAC name of 2-cyano-2-[methyl(sulfamoyl)amino]propane (CID 164649630) is 2-cyano-2-[methyl(sulfamoyl)amino]propane.
What is the SMILES notation for 2-cyano-2-[methyl(sulfamoyl)amino]propane?
The canonical SMILES for 2-cyano-2-[methyl(sulfamoyl)amino]propane is CN(C(C)(C)C#N)S(N)(=O)=O.
What is the InChIKey of 2-cyano-2-[methyl(sulfamoyl)amino]propane?
The InChIKey is XBNFIBHNUFZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-5(2,4-6)8(3)11(7,9)10/h1-3H3,(H2,7,9,10).
What are the key properties of 2-cyano-2-[methyl(sulfamoyl)amino]propane?
2-cyano-2-[methyl(sulfamoyl)amino]propane has a molecular weight of 177.23 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[methyl(sulfamoyl)amino]propane is sourced from PubChem (CID 164649630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).