diazenyl-(sulfinoamino)methane

CH5N3O2S — CID 57233993

IUPACdiazenyl-(sulfinoamino)methane
SMILES[H]/N=N/CNS(=O)O
InChIInChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/b3-2+
InChIKeyHRNNDZDYWLODFP-NSCUHMNNSA-N
MW123.14 g/mol
LogP-0.30
Rot. Bonds3

About diazenyl-(sulfinoamino)methane

diazenyl-(sulfinoamino)methane (PubChem CID 57233993) has the molecular formula CH5N3O2S and a molecular weight of 123.14 g/mol. Its IUPAC name is diazenyl-(sulfinoamino)methane.

Molecular Properties

Compound Namediazenyl-(sulfinoamino)methane
PubChem CID57233993
Molecular FormulaCH5N3O2S
Molecular Weight123.14 g/mol
Exact Mass123.01
IUPAC Namediazenyl-(sulfinoamino)methane
SMILES[H]/N=N/CNS(=O)O
InChIInChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/b3-2+
InChIKeyHRNNDZDYWLODFP-NSCUHMNNSA-N
XLogP-0.30
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Diazenyl-(sulfinatoamino)methane
CID 57233992
Amino-(sulfinoamino)methane
CID 174302377

Frequently Asked Questions

What is the IUPAC name of diazenyl-(sulfinoamino)methane?
The IUPAC name of diazenyl-(sulfinoamino)methane (CID 57233993) is diazenyl-(sulfinoamino)methane.
What is the SMILES notation for diazenyl-(sulfinoamino)methane?
The canonical SMILES for diazenyl-(sulfinoamino)methane is [H]/N=N/CNS(=O)O.
What is the InChIKey of diazenyl-(sulfinoamino)methane?
The InChIKey is HRNNDZDYWLODFP-NSCUHMNNSA-N. The full InChI is InChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/b3-2+.
What are the key properties of diazenyl-(sulfinoamino)methane?
diazenyl-(sulfinoamino)methane has a molecular weight of 123.14 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazenyl-(sulfinoamino)methane is sourced from PubChem (CID 57233993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).