bis(2-aminopentanedinitrile);sulfuric acid

C10H16N6O4S — CID 71370294

IUPACbis(2-aminopentanedinitrile);sulfuric acid
SMILESN#CCCC(N)C#N.N#CCCC(N)C#N.O=S(=O)(O)O
InChIInChI=1S/2C5H7N3.H2O4S/c2*6-3-1-2-5(8)4-7;1-5(2,3)4/h2*5H,1-2,8H2;(H2,1,2,3,4)
InChIKeyJCDLQNVJJJOLDW-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.37
Rot. Bonds4

About bis(2-aminopentanedinitrile);sulfuric acid

bis(2-aminopentanedinitrile);sulfuric acid (PubChem CID 71370294) has the molecular formula C10H16N6O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is bis(2-aminopentanedinitrile);sulfuric acid.

Molecular Properties

Compound Namebis(2-aminopentanedinitrile);sulfuric acid
PubChem CID71370294
Molecular FormulaC10H16N6O4S
Molecular Weight316.34 g/mol
Exact Mass316.10
IUPAC Namebis(2-aminopentanedinitrile);sulfuric acid
SMILESN#CCCC(N)C#N.N#CCCC(N)C#N.O=S(=O)(O)O
InChIInChI=1S/2C5H7N3.H2O4S/c2*6-3-1-2-5(8)4-7;1-5(2,3)4/h2*5H,1-2,8H2;(H2,1,2,3,4)
InChIKeyJCDLQNVJJJOLDW-UHFFFAOYSA-N
XLogP-0.37
TPSA221.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze bis(2-aminopentanedinitrile);sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-aminobutanenitrile;sulfuric acid
CID 87509392
4-amino-4-hydroxybutanenitrile
CID 88688773
(2S)-2-hydroxypentanedinitrile
CID 98062050
2-amino-5-cyano-N,3-dimethylpentanamide
CID 174428654
bis(scandium);sulfuric acid;octahydrate
CID 86222721
undecane-1,3,6,9,11-pentacarbonitrile
CID 170446650
5-amino-5-cyano-2,2-dimethylpentanoic acid
CID 102089748
ethyl (2S)-2-amino-4-cyanobutanoate;hydrochloride
CID 131858881
oxalonitrile;sulfane;sulfuric acid
CID 174830241
1-cyano-4-(sulfamoylamino)butane
CID 112689559
3-[bis(2-hydroxyethyl)amino]propanenitrile;sulfuric acid
CID 88674776
2-formylpentanedinitrile
CID 54469175

Frequently Asked Questions

What is the IUPAC name of bis(2-aminopentanedinitrile);sulfuric acid?
The IUPAC name of bis(2-aminopentanedinitrile);sulfuric acid (CID 71370294) is bis(2-aminopentanedinitrile);sulfuric acid.
What is the SMILES notation for bis(2-aminopentanedinitrile);sulfuric acid?
The canonical SMILES for bis(2-aminopentanedinitrile);sulfuric acid is N#CCCC(N)C#N.N#CCCC(N)C#N.O=S(=O)(O)O.
What is the InChIKey of bis(2-aminopentanedinitrile);sulfuric acid?
The InChIKey is JCDLQNVJJJOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N3.H2O4S/c2*6-3-1-2-5(8)4-7;1-5(2,3)4/h2*5H,1-2,8H2;(H2,1,2,3,4).
What are the key properties of bis(2-aminopentanedinitrile);sulfuric acid?
bis(2-aminopentanedinitrile);sulfuric acid has a molecular weight of 316.34 g/mol, XLogP of -0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminopentanedinitrile);sulfuric acid is sourced from PubChem (CID 71370294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).