2-(ethylsulfamoylamino)propanenitrile

C5H11N3O2S — CID 114807669

IUPAC2-(ethylsulfamoylamino)propanenitrile
SMILESCCNS(=O)(=O)NC(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-3-7-11(9,10)8-5(2)4-6/h5,7-8H,3H2,1-2H3
InChIKeyGLTMWOSOKMAKGV-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.66
Rot. Bonds4

About 2-(ethylsulfamoylamino)propanenitrile

2-(ethylsulfamoylamino)propanenitrile (PubChem CID 114807669) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)propanenitrile
PubChem CID114807669
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name2-(ethylsulfamoylamino)propanenitrile
SMILESCCNS(=O)(=O)NC(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-3-7-11(9,10)8-5(2)4-6/h5,7-8H,3H2,1-2H3
InChIKeyGLTMWOSOKMAKGV-UHFFFAOYSA-N
XLogP-0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylsulfamoylamino)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 2-(ethylsulfamoylamino)propanenitrile?
The IUPAC name of 2-(ethylsulfamoylamino)propanenitrile (CID 114807669) is 2-(ethylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-(ethylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-(ethylsulfamoylamino)propanenitrile is CCNS(=O)(=O)NC(C)C#N.
What is the InChIKey of 2-(ethylsulfamoylamino)propanenitrile?
The InChIKey is GLTMWOSOKMAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-3-7-11(9,10)8-5(2)4-6/h5,7-8H,3H2,1-2H3.
What are the key properties of 2-(ethylsulfamoylamino)propanenitrile?
2-(ethylsulfamoylamino)propanenitrile has a molecular weight of 177.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).