3-[diethylsulfamoyl(methyl)amino]propanenitrile

C8H17N3O2S — CID 28785076

IUPAC3-[diethylsulfamoyl(methyl)amino]propanenitrile
SMILESCCN(CC)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10(3)8-6-7-9/h4-6,8H2,1-3H3
InChIKeyDUOOJIVXAZVDTE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.42
Rot. Bonds6

About 3-[diethylsulfamoyl(methyl)amino]propanenitrile

3-[diethylsulfamoyl(methyl)amino]propanenitrile (PubChem CID 28785076) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[diethylsulfamoyl(methyl)amino]propanenitrile
PubChem CID28785076
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3-[diethylsulfamoyl(methyl)amino]propanenitrile
SMILESCCN(CC)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10(3)8-6-7-9/h4-6,8H2,1-3H3
InChIKeyDUOOJIVXAZVDTE-UHFFFAOYSA-N
XLogP0.42
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[diethylsulfamoyl(methyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[diethylsulfamoyl(methyl)amino]propanenitrile (CID 28785076) is 3-[diethylsulfamoyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[diethylsulfamoyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[diethylsulfamoyl(methyl)amino]propanenitrile is CCN(CC)S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 3-[diethylsulfamoyl(methyl)amino]propanenitrile?
The InChIKey is DUOOJIVXAZVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10(3)8-6-7-9/h4-6,8H2,1-3H3.
What are the key properties of 3-[diethylsulfamoyl(methyl)amino]propanenitrile?
3-[diethylsulfamoyl(methyl)amino]propanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(methyl)amino]propanenitrile is sourced from PubChem (CID 28785076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).