2-cyano-1-(diethylsulfamoylamino)propane

C8H17N3O2S — CID 62652043

IUPAC2-cyano-1-(diethylsulfamoylamino)propane
SMILESCCN(CC)S(=O)(=O)NCC(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-7-8(3)6-9/h8,10H,4-5,7H2,1-3H3
InChIKeyXSFJLEFTZHBTKT-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.32
Rot. Bonds6

About 2-cyano-1-(diethylsulfamoylamino)propane

2-cyano-1-(diethylsulfamoylamino)propane (PubChem CID 62652043) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-cyano-1-(diethylsulfamoylamino)propane.

Molecular Properties

Compound Name2-cyano-1-(diethylsulfamoylamino)propane
PubChem CID62652043
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-cyano-1-(diethylsulfamoylamino)propane
SMILESCCN(CC)S(=O)(=O)NCC(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-7-8(3)6-9/h8,10H,4-5,7H2,1-3H3
InChIKeyXSFJLEFTZHBTKT-UHFFFAOYSA-N
XLogP0.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-1-(diethylsulfamoylamino)propane 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-cyano-1-(diethylsulfamoylamino)propane?
The IUPAC name of 2-cyano-1-(diethylsulfamoylamino)propane (CID 62652043) is 2-cyano-1-(diethylsulfamoylamino)propane.
What is the SMILES notation for 2-cyano-1-(diethylsulfamoylamino)propane?
The canonical SMILES for 2-cyano-1-(diethylsulfamoylamino)propane is CCN(CC)S(=O)(=O)NCC(C)C#N.
What is the InChIKey of 2-cyano-1-(diethylsulfamoylamino)propane?
The InChIKey is XSFJLEFTZHBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-7-8(3)6-9/h8,10H,4-5,7H2,1-3H3.
What are the key properties of 2-cyano-1-(diethylsulfamoylamino)propane?
2-cyano-1-(diethylsulfamoylamino)propane has a molecular weight of 219.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(diethylsulfamoylamino)propane is sourced from PubChem (CID 62652043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).