2-(cyclopropylsulfamoylamino)propanenitrile

C6H11N3O2S — CID 114807668

IUPAC2-(cyclopropylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11N3O2S/c1-5(4-7)8-12(10,11)9-6-2-3-6/h5-6,8-9H,2-3H2,1H3
InChIKeyCWUNMDJSVISDHZ-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.52
Rot. Bonds4

About 2-(cyclopropylsulfamoylamino)propanenitrile

2-(cyclopropylsulfamoylamino)propanenitrile (PubChem CID 114807668) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)propanenitrile
PubChem CID114807668
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-(cyclopropylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C6H11N3O2S/c1-5(4-7)8-12(10,11)9-6-2-3-6/h5-6,8-9H,2-3H2,1H3
InChIKeyCWUNMDJSVISDHZ-UHFFFAOYSA-N
XLogP-0.52
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylsulfamoylamino)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-(cyclopropylsulfamoylamino)propanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)propanenitrile (CID 114807668) is 2-(cyclopropylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)propanenitrile is CC(C#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)propanenitrile?
The InChIKey is CWUNMDJSVISDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-5(4-7)8-12(10,11)9-6-2-3-6/h5-6,8-9H,2-3H2,1H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)propanenitrile?
2-(cyclopropylsulfamoylamino)propanenitrile has a molecular weight of 189.24 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).