oxo-[sulfamoyl-(sulfinoamino)amino]methane

CH5N3O5S2 — CID 91555675

IUPACoxo-[sulfamoyl-(sulfinoamino)amino]methane
SMILESNS(=O)(=O)N(C=O)NS(=O)O
InChIInChI=1S/CH5N3O5S2/c2-11(8,9)4(1-5)3-10(6)7/h1,3H,(H,6,7)(H2,2,8,9)
InChIKeyLHFTXMLEJWVIEX-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.71
Rot. Bonds4

About oxo-[sulfamoyl-(sulfinoamino)amino]methane

oxo-[sulfamoyl-(sulfinoamino)amino]methane (PubChem CID 91555675) has the molecular formula CH5N3O5S2 and a molecular weight of 203.20 g/mol. Its IUPAC name is oxo-[sulfamoyl-(sulfinoamino)amino]methane.

Molecular Properties

Compound Nameoxo-[sulfamoyl-(sulfinoamino)amino]methane
PubChem CID91555675
Molecular FormulaCH5N3O5S2
Molecular Weight203.20 g/mol
Exact Mass202.97
IUPAC Nameoxo-[sulfamoyl-(sulfinoamino)amino]methane
SMILESNS(=O)(=O)N(C=O)NS(=O)O
InChIInChI=1S/CH5N3O5S2/c2-11(8,9)4(1-5)3-10(6)7/h1,3H,(H,6,7)(H2,2,8,9)
InChIKeyLHFTXMLEJWVIEX-UHFFFAOYSA-N
XLogP-2.71
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

sulfamic acid;sulfurous acid
CID 159581131
N-amino-N-sulfamoylformamide
CID 174767678
oxo-(sulfinoamino)methane
CID 18313827
formic acid;sulfamide
CID 155125377
CID 175398246
CID 175398246
sulfinosulfamoylmethane
CID 22285783
dilithium;formic acid;hydride;sulfamic acid
CID 174979173
sulfuric acid;sulfurous acid
CID 172712432
amino(formylimino)methanesulfinic acid
CID 55298737
1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane
CID 87205353
(diformylamino) hydrogen sulfite
CID 130368086
(sulfinoamino)ethene
CID 19593362

Frequently Asked Questions

What is the IUPAC name of oxo-[sulfamoyl-(sulfinoamino)amino]methane?
The IUPAC name of oxo-[sulfamoyl-(sulfinoamino)amino]methane (CID 91555675) is oxo-[sulfamoyl-(sulfinoamino)amino]methane.
What is the SMILES notation for oxo-[sulfamoyl-(sulfinoamino)amino]methane?
The canonical SMILES for oxo-[sulfamoyl-(sulfinoamino)amino]methane is NS(=O)(=O)N(C=O)NS(=O)O.
What is the InChIKey of oxo-[sulfamoyl-(sulfinoamino)amino]methane?
The InChIKey is LHFTXMLEJWVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3O5S2/c2-11(8,9)4(1-5)3-10(6)7/h1,3H,(H,6,7)(H2,2,8,9).
What are the key properties of oxo-[sulfamoyl-(sulfinoamino)amino]methane?
oxo-[sulfamoyl-(sulfinoamino)amino]methane has a molecular weight of 203.20 g/mol, XLogP of -2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[sulfamoyl-(sulfinoamino)amino]methane is sourced from PubChem (CID 91555675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).