CID 21482247

H5N3O2S — CID 21482247

IUPAC—
SMILESNN(N)S(=O)O
InChIInChI=1S/H5N3O2S/c1-3(2)6(4)5/h1-2H2,(H,4,5)
InChIKeyKKWALGGITXWXPP-UHFFFAOYSA-N
MW111.13 g/mol
LogP-1.83
Rot. Bonds1

About CID 21482247

CID 21482247 (PubChem CID 21482247) has the molecular formula H5N3O2S and a molecular weight of 111.13 g/mol.

Molecular Properties

Compound NameCID 21482247
PubChem CID21482247
Molecular FormulaH5N3O2S
Molecular Weight111.13 g/mol
Exact Mass111.01
IUPAC Name—
SMILESNN(N)S(=O)O
InChIInChI=1S/H5N3O2S/c1-3(2)6(4)5/h1-2H2,(H,4,5)
InChIKeyKKWALGGITXWXPP-UHFFFAOYSA-N
XLogP-1.83
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.13
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 21482247 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

Hydrazinesulfonic acid
CID 10313107
Hydrazinesulphite
CID 19789231
Hydrazine;sulfamic acid
CID 170844363
CID 18407106
CID 18407106
[[Dihydroxy(oxo)-lambda6-sulfanylidene]amino]diazene
CID 21353061
CID 21897199
CID 21897199
CID 57441847
CID 57441847
Diaminosulfamic acid
CID 154131038
CID 154320993
CID 154320993
Hydrazinylsulfamic acid
CID 154324354
CID 173092489
CID 173092489
Aminosulfamic acid;azane
CID 173429975

Frequently Asked Questions

What is the IUPAC name of CID 21482247?
The IUPAC name of CID 21482247 (CID 21482247) is not available.
What is the SMILES notation for CID 21482247?
The canonical SMILES for CID 21482247 is NN(N)S(=O)O.
What is the InChIKey of CID 21482247?
The InChIKey is KKWALGGITXWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3O2S/c1-3(2)6(4)5/h1-2H2,(H,4,5).
What are the key properties of CID 21482247?
CID 21482247 has a molecular weight of 111.13 g/mol, XLogP of -1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21482247 is sourced from PubChem (CID 21482247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).