diaminosulfamic acid

H5N3O3S — CID 154131038

IUPACdiaminosulfamic acid
SMILESNN(N)S(=O)(=O)O
InChIInChI=1S/H5N3O3S/c1-3(2)7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyUWYZVOSKMIZTLR-UHFFFAOYSA-N
MW127.13 g/mol
LogP-2.16
Rot. Bonds1

About diaminosulfamic acid

diaminosulfamic acid (PubChem CID 154131038) has the molecular formula H5N3O3S and a molecular weight of 127.13 g/mol. Its IUPAC name is diaminosulfamic acid.

Molecular Properties

Compound Namediaminosulfamic acid
PubChem CID154131038
Molecular FormulaH5N3O3S
Molecular Weight127.13 g/mol
Exact Mass127.01
IUPAC Namediaminosulfamic acid
SMILESNN(N)S(=O)(=O)O
InChIInChI=1S/H5N3O3S/c1-3(2)7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyUWYZVOSKMIZTLR-UHFFFAOYSA-N
XLogP-2.16
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.13
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze diaminosulfamic acid 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 diaminosulfamic acid?
The IUPAC name of diaminosulfamic acid (CID 154131038) is diaminosulfamic acid.
What is the SMILES notation for diaminosulfamic acid?
The canonical SMILES for diaminosulfamic acid is NN(N)S(=O)(=O)O.
What is the InChIKey of diaminosulfamic acid?
The InChIKey is UWYZVOSKMIZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3O3S/c1-3(2)7(4,5)6/h1-2H2,(H,4,5,6).
What are the key properties of diaminosulfamic acid?
diaminosulfamic acid has a molecular weight of 127.13 g/mol, XLogP of -2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diaminosulfamic acid is sourced from PubChem (CID 154131038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).