azanylidyne-(sulfinatoamino)methane

CHN2O2S- — CID 54331989

IUPACazanylidyne-(sulfinatoamino)methane
SMILESN#CNS(=O)[O-]
InChIInChI=1S/CH2N2O2S/c2-1-3-6(4)5/h3H,(H,4,5)/p-1
InChIKeyDLOQIGZASPDKQG-UHFFFAOYSA-M
MW105.10 g/mol
LogP-1.15
Rot. Bonds1

About azanylidyne-(sulfinatoamino)methane

azanylidyne-(sulfinatoamino)methane (PubChem CID 54331989) has the molecular formula CHN2O2S- and a molecular weight of 105.10 g/mol. Its IUPAC name is azanylidyne-(sulfinatoamino)methane.

Molecular Properties

Compound Nameazanylidyne-(sulfinatoamino)methane
PubChem CID54331989
Molecular FormulaCHN2O2S-
Molecular Weight105.10 g/mol
Exact Mass104.98
IUPAC Nameazanylidyne-(sulfinatoamino)methane
SMILESN#CNS(=O)[O-]
InChIInChI=1S/CH2N2O2S/c2-1-3-6(4)5/h3H,(H,4,5)/p-1
InChIKeyDLOQIGZASPDKQG-UHFFFAOYSA-M
XLogP-1.15
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanylidyne-(sulfinatoamino)methane?
The IUPAC name of azanylidyne-(sulfinatoamino)methane (CID 54331989) is azanylidyne-(sulfinatoamino)methane.
What is the SMILES notation for azanylidyne-(sulfinatoamino)methane?
The canonical SMILES for azanylidyne-(sulfinatoamino)methane is N#CNS(=O)[O-].
What is the InChIKey of azanylidyne-(sulfinatoamino)methane?
The InChIKey is DLOQIGZASPDKQG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2N2O2S/c2-1-3-6(4)5/h3H,(H,4,5)/p-1.
What are the key properties of azanylidyne-(sulfinatoamino)methane?
azanylidyne-(sulfinatoamino)methane has a molecular weight of 105.10 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyne-(sulfinatoamino)methane is sourced from PubChem (CID 54331989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).