N-(nitrodiazenyl)sulfinyliminonitramide

N6O5S — CID 154432874

IUPACN-(nitrodiazenyl)sulfinyliminonitramide
SMILESO=[N+]([O-])N=NS(=O)N=N[N+](=O)[O-]
InChIInChI=1S/N6O5S/c7-5(8)1-3-12(11)4-2-6(9)10
InChIKeyJKTMPKDGHZCBFU-UHFFFAOYSA-N
MW196.10 g/mol
LogP-0.15
Rot. Bonds4

About N-(nitrodiazenyl)sulfinyliminonitramide

N-(nitrodiazenyl)sulfinyliminonitramide (PubChem CID 154432874) has the molecular formula N6O5S and a molecular weight of 196.10 g/mol. Its IUPAC name is N-(nitrodiazenyl)sulfinyliminonitramide.

Molecular Properties

Compound NameN-(nitrodiazenyl)sulfinyliminonitramide
PubChem CID154432874
Molecular FormulaN6O5S
Molecular Weight196.10 g/mol
Exact Mass195.97
IUPAC NameN-(nitrodiazenyl)sulfinyliminonitramide
SMILESO=[N+]([O-])N=NS(=O)N=N[N+](=O)[O-]
InChIInChI=1S/N6O5S/c7-5(8)1-3-12(11)4-2-6(9)10
InChIKeyJKTMPKDGHZCBFU-UHFFFAOYSA-N
XLogP-0.15
TPSA152.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydrazinylidenenitramide
CID 71343524
CID 59919457
CID 59919457
copper;sodium;nitrate;sulfite
CID 174495170
CID 174673624
CID 174673624
sodium;hydrogen sulfite;nitric acid
CID 161187114
oxostibanylium nitrate
CID 162305947
disodium;N-oxonitramide
CID 10129945
CID 154382204
CID 154382204
nitrate nitrite
CID 22182872
ruthenium(3+) nitrate
CID 21124620
ruthenium(2+) sulfite
CID 22610794
europium(3+) trinitrate
CID 24983

Frequently Asked Questions

What is the IUPAC name of N-(nitrodiazenyl)sulfinyliminonitramide?
The IUPAC name of N-(nitrodiazenyl)sulfinyliminonitramide (CID 154432874) is N-(nitrodiazenyl)sulfinyliminonitramide.
What is the SMILES notation for N-(nitrodiazenyl)sulfinyliminonitramide?
The canonical SMILES for N-(nitrodiazenyl)sulfinyliminonitramide is O=[N+]([O-])N=NS(=O)N=N[N+](=O)[O-].
What is the InChIKey of N-(nitrodiazenyl)sulfinyliminonitramide?
The InChIKey is JKTMPKDGHZCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O5S/c7-5(8)1-3-12(11)4-2-6(9)10.
What are the key properties of N-(nitrodiazenyl)sulfinyliminonitramide?
N-(nitrodiazenyl)sulfinyliminonitramide has a molecular weight of 196.10 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(nitrodiazenyl)sulfinyliminonitramide is sourced from PubChem (CID 154432874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).