CID 154227133

N6O4S2 — CID 154227133

IUPAC—
SMILES[N-]=[N+]=NS(=O)(=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/N6O4S2/c1-3-5-11(7,8)12(9,10)6-4-2
InChIKeyIASDOABOVCUTDC-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.18
Rot. Bonds3

About CID 154227133

CID 154227133 (PubChem CID 154227133) has the molecular formula N6O4S2 and a molecular weight of 212.17 g/mol.

Molecular Properties

Compound NameCID 154227133
PubChem CID154227133
Molecular FormulaN6O4S2
Molecular Weight212.17 g/mol
Exact Mass211.94
IUPAC Name—
SMILES[N-]=[N+]=NS(=O)(=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/N6O4S2/c1-3-5-11(7,8)12(9,10)6-4-2
InChIKeyIASDOABOVCUTDC-UHFFFAOYSA-N
XLogP0.18
TPSA165.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze CID 154227133 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

CID 139136120
CID 139136120
azidosulfonyl N-diazosulfamate
CID 19868343
CID 20041780
CID 20041780
CID 73675582
CID 73675582
Potassium azidosulfonyl sulfate
CID 85960723
CID 150320751
CID 150320751
CID 150813176
CID 150813176
CID 151090651
CID 151090651
Disulfamoylazaniumylideneazanide
CID 154244867
Sulfuric acid;sulfuryl diazide
CID 173845117
Dithiadiazete 1,1,2,2-tetraoxide
CID 175013688
1,4,5,2,3,6,7-Oxadithiatetrazepine 4,4,5,5-tetraoxide
CID 176188254

Frequently Asked Questions

What is the IUPAC name of CID 154227133?
The IUPAC name of CID 154227133 (CID 154227133) is not available.
What is the SMILES notation for CID 154227133?
The canonical SMILES for CID 154227133 is [N-]=[N+]=NS(=O)(=O)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of CID 154227133?
The InChIKey is IASDOABOVCUTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O4S2/c1-3-5-11(7,8)12(9,10)6-4-2.
What are the key properties of CID 154227133?
CID 154227133 has a molecular weight of 212.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154227133 is sourced from PubChem (CID 154227133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).