amino-(disulfinatoamino)-oxomethane

CH2N2O5S2-2 — CID 57084607

IUPACamino-(disulfinatoamino)-oxomethane
SMILESNC(=O)N(S(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH4N2O5S2/c2-1(4)3(9(5)6)10(7)8/h(H2,2,4)(H,5,6)(H,7,8)/p-2
InChIKeyBJYQYFVWDIUMLQ-UHFFFAOYSA-L
MW186.17 g/mol
LogP-2.04
Rot. Bonds2

About amino-(disulfinatoamino)-oxomethane

amino-(disulfinatoamino)-oxomethane (PubChem CID 57084607) has the molecular formula CH2N2O5S2-2 and a molecular weight of 186.17 g/mol. Its IUPAC name is amino-(disulfinatoamino)-oxomethane.

Molecular Properties

Compound Nameamino-(disulfinatoamino)-oxomethane
PubChem CID57084607
Molecular FormulaCH2N2O5S2-2
Molecular Weight186.17 g/mol
Exact Mass185.94
IUPAC Nameamino-(disulfinatoamino)-oxomethane
SMILESNC(=O)N(S(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH4N2O5S2/c2-1(4)3(9(5)6)10(7)8/h(H2,2,4)(H,5,6)(H,7,8)/p-2
InChIKeyBJYQYFVWDIUMLQ-UHFFFAOYSA-L
XLogP-2.04
TPSA126.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(disulfinatoamino)-oxomethane?
The IUPAC name of amino-(disulfinatoamino)-oxomethane (CID 57084607) is amino-(disulfinatoamino)-oxomethane.
What is the SMILES notation for amino-(disulfinatoamino)-oxomethane?
The canonical SMILES for amino-(disulfinatoamino)-oxomethane is NC(=O)N(S(=O)[O-])S(=O)[O-].
What is the InChIKey of amino-(disulfinatoamino)-oxomethane?
The InChIKey is BJYQYFVWDIUMLQ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4N2O5S2/c2-1(4)3(9(5)6)10(7)8/h(H2,2,4)(H,5,6)(H,7,8)/p-2.
What are the key properties of amino-(disulfinatoamino)-oxomethane?
amino-(disulfinatoamino)-oxomethane has a molecular weight of 186.17 g/mol, XLogP of -2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(disulfinatoamino)-oxomethane is sourced from PubChem (CID 57084607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).