3-[dimethylsulfamoyl(ethyl)amino]propanenitrile

C7H15N3O2S — CID 39240929

IUPAC3-[dimethylsulfamoyl(ethyl)amino]propanenitrile
SMILESCCN(CCC#N)S(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-10(7-5-6-8)13(11,12)9(2)3/h4-5,7H2,1-3H3
InChIKeyYAOJOTDMGQESAQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.03
Rot. Bonds5

About 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile

3-[dimethylsulfamoyl(ethyl)amino]propanenitrile (PubChem CID 39240929) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]propanenitrile
PubChem CID39240929
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]propanenitrile
SMILESCCN(CCC#N)S(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-10(7-5-6-8)13(11,12)9(2)3/h4-5,7H2,1-3H3
InChIKeyYAOJOTDMGQESAQ-UHFFFAOYSA-N
XLogP0.03
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile (CID 39240929) is 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile is CCN(CCC#N)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile?
The InChIKey is YAOJOTDMGQESAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-10(7-5-6-8)13(11,12)9(2)3/h4-5,7H2,1-3H3.
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile?
3-[dimethylsulfamoyl(ethyl)amino]propanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]propanenitrile is sourced from PubChem (CID 39240929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).