sulfinatosulfamoylmethane

CH4NO4S2- — CID 20677081

IUPACsulfinatosulfamoylmethane
SMILESCS(=O)(=O)NS(=O)[O-]
InChIInChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4)/p-1
InChIKeyTZGFBTOAVCXCEG-UHFFFAOYSA-M
MW158.18 g/mol
LogP-1.67
Rot. Bonds2

About sulfinatosulfamoylmethane

sulfinatosulfamoylmethane (PubChem CID 20677081) has the molecular formula CH4NO4S2- and a molecular weight of 158.18 g/mol. Its IUPAC name is sulfinatosulfamoylmethane.

Molecular Properties

Compound Namesulfinatosulfamoylmethane
PubChem CID20677081
Molecular FormulaCH4NO4S2-
Molecular Weight158.18 g/mol
Exact Mass157.96
IUPAC Namesulfinatosulfamoylmethane
SMILESCS(=O)(=O)NS(=O)[O-]
InChIInChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4)/p-1
InChIKeyTZGFBTOAVCXCEG-UHFFFAOYSA-M
XLogP-1.67
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 sulfinatosulfamoylmethane?
The IUPAC name of sulfinatosulfamoylmethane (CID 20677081) is sulfinatosulfamoylmethane.
What is the SMILES notation for sulfinatosulfamoylmethane?
The canonical SMILES for sulfinatosulfamoylmethane is CS(=O)(=O)NS(=O)[O-].
What is the InChIKey of sulfinatosulfamoylmethane?
The InChIKey is TZGFBTOAVCXCEG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5NO4S2/c1-8(5,6)2-7(3)4/h2H,1H3,(H,3,4)/p-1.
What are the key properties of sulfinatosulfamoylmethane?
sulfinatosulfamoylmethane has a molecular weight of 158.18 g/mol, XLogP of -1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfinatosulfamoylmethane is sourced from PubChem (CID 20677081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).