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

C6H13N3O2S — CID 164649612

IUPAC2-cyano-2-[methyl(methylsulfamoyl)amino]propane
SMILESCNS(=O)(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,5-7)9(4)12(10,11)8-3/h8H,1-4H3
InChIKeyRWIUEBYPLHDFIF-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.32
Rot. Bonds3

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

2-cyano-2-[methyl(methylsulfamoyl)amino]propane (PubChem CID 164649612) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-cyano-2-[methyl(methylsulfamoyl)amino]propane.

Molecular Properties

Compound Name2-cyano-2-[methyl(methylsulfamoyl)amino]propane
PubChem CID164649612
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-cyano-2-[methyl(methylsulfamoyl)amino]propane
SMILESCNS(=O)(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,5-7)9(4)12(10,11)8-3/h8H,1-4H3
InChIKeyRWIUEBYPLHDFIF-UHFFFAOYSA-N
XLogP-0.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 61123241
CID 61123241
CID 61124900
CID 61124900
CID 61127913
CID 61127913
CID 61453748
CID 61453748
CID 62652220
CID 62652220
CID 62653489
CID 62653489
CID 82126340
CID 82126340
CID 93594408
CID 93594408
CID 104069505
CID 104069505
CID 110605574
CID 110605574
CID 110605575
CID 110605575
CID 110605576
CID 110605576

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[methyl(methylsulfamoyl)amino]propane?
The IUPAC name of 2-cyano-2-[methyl(methylsulfamoyl)amino]propane (CID 164649612) is 2-cyano-2-[methyl(methylsulfamoyl)amino]propane.
What is the SMILES notation for 2-cyano-2-[methyl(methylsulfamoyl)amino]propane?
The canonical SMILES for 2-cyano-2-[methyl(methylsulfamoyl)amino]propane is CNS(=O)(=O)N(C)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-[methyl(methylsulfamoyl)amino]propane?
The InChIKey is RWIUEBYPLHDFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(2,5-7)9(4)12(10,11)8-3/h8H,1-4H3.
What are the key properties of 2-cyano-2-[methyl(methylsulfamoyl)amino]propane?
2-cyano-2-[methyl(methylsulfamoyl)amino]propane has a molecular weight of 191.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[methyl(methylsulfamoyl)amino]propane is sourced from PubChem (CID 164649612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).