CID 149433442

N4O2S — CID 149433442

IUPAC—
SMILES[N-]=[N+]=NN=S(=O)=O
InChIInChI=1S/N4O2S/c1-2-3-4-7(5)6
InChIKeyUEONGHFMUYUMOP-UHFFFAOYSA-N
MW120.09 g/mol
LogP0.27
Rot. Bonds1

About CID 149433442

CID 149433442 (PubChem CID 149433442) has the molecular formula N4O2S and a molecular weight of 120.09 g/mol.

Molecular Properties

Compound NameCID 149433442
PubChem CID149433442
Molecular FormulaN4O2S
Molecular Weight120.09 g/mol
Exact Mass119.97
IUPAC Name—
SMILES[N-]=[N+]=NN=S(=O)=O
InChIInChI=1S/N4O2S/c1-2-3-4-7(5)6
InChIKeyUEONGHFMUYUMOP-UHFFFAOYSA-N
XLogP0.27
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze CID 149433442 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 CID 149433442?
The IUPAC name of CID 149433442 (CID 149433442) is not available.
What is the SMILES notation for CID 149433442?
The canonical SMILES for CID 149433442 is [N-]=[N+]=NN=S(=O)=O.
What is the InChIKey of CID 149433442?
The InChIKey is UEONGHFMUYUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/N4O2S/c1-2-3-4-7(5)6.
What are the key properties of CID 149433442?
CID 149433442 has a molecular weight of 120.09 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149433442 is sourced from PubChem (CID 149433442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).