3-[dimethylsulfamoyl(methyl)amino]propanenitrile

C6H13N3O2S — CID 3765435

IUPAC3-[dimethylsulfamoyl(methyl)amino]propanenitrile
SMILESCN(C)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C6H13N3O2S/c1-8(2)12(10,11)9(3)6-4-5-7/h4,6H2,1-3H3
InChIKeyDHPGSEUWTGMTSM-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.36
Rot. Bonds4

About 3-[dimethylsulfamoyl(methyl)amino]propanenitrile

3-[dimethylsulfamoyl(methyl)amino]propanenitrile (PubChem CID 3765435) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(methyl)amino]propanenitrile
PubChem CID3765435
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name3-[dimethylsulfamoyl(methyl)amino]propanenitrile
SMILESCN(C)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C6H13N3O2S/c1-8(2)12(10,11)9(3)6-4-5-7/h4,6H2,1-3H3
InChIKeyDHPGSEUWTGMTSM-UHFFFAOYSA-N
XLogP-0.36
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[dimethylsulfamoyl(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-[dimethylsulfamoyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]propanenitrile (CID 3765435) is 3-[dimethylsulfamoyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[dimethylsulfamoyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[dimethylsulfamoyl(methyl)amino]propanenitrile is CN(C)S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 3-[dimethylsulfamoyl(methyl)amino]propanenitrile?
The InChIKey is DHPGSEUWTGMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-8(2)12(10,11)9(3)6-4-5-7/h4,6H2,1-3H3.
What are the key properties of 3-[dimethylsulfamoyl(methyl)amino]propanenitrile?
3-[dimethylsulfamoyl(methyl)amino]propanenitrile has a molecular weight of 191.26 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(methyl)amino]propanenitrile is sourced from PubChem (CID 3765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).