amino-oxo-[sulfamoyl(sulfinato)amino]methane

CH4N3O5S2- — CID 57254178

IUPACamino-oxo-[sulfamoyl(sulfinato)amino]methane
SMILESNC(=O)N(S(=O)[O-])S(N)(=O)=O
InChIInChI=1S/CH5N3O5S2/c2-1(5)4(10(6)7)11(3,8)9/h(H2,2,5)(H,6,7)(H2,3,8,9)/p-1
InChIKeyFEGCMAVHMITPQS-UHFFFAOYSA-M
MW202.19 g/mol
LogP-2.64
Rot. Bonds2

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

amino-oxo-[sulfamoyl(sulfinato)amino]methane (PubChem CID 57254178) has the molecular formula CH4N3O5S2- and a molecular weight of 202.19 g/mol. Its IUPAC name is amino-oxo-[sulfamoyl(sulfinato)amino]methane.

Molecular Properties

Compound Nameamino-oxo-[sulfamoyl(sulfinato)amino]methane
PubChem CID57254178
Molecular FormulaCH4N3O5S2-
Molecular Weight202.19 g/mol
Exact Mass201.96
IUPAC Nameamino-oxo-[sulfamoyl(sulfinato)amino]methane
SMILESNC(=O)N(S(=O)[O-])S(N)(=O)=O
InChIInChI=1S/CH5N3O5S2/c2-1(5)4(10(6)7)11(3,8)9/h(H2,2,5)(H,6,7)(H2,3,8,9)/p-1
InChIKeyFEGCMAVHMITPQS-UHFFFAOYSA-M
XLogP-2.64
TPSA146.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
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-oxo-[sulfamoyl(sulfinato)amino]methane?
The IUPAC name of amino-oxo-[sulfamoyl(sulfinato)amino]methane (CID 57254178) is amino-oxo-[sulfamoyl(sulfinato)amino]methane.
What is the SMILES notation for amino-oxo-[sulfamoyl(sulfinato)amino]methane?
The canonical SMILES for amino-oxo-[sulfamoyl(sulfinato)amino]methane is NC(=O)N(S(=O)[O-])S(N)(=O)=O.
What is the InChIKey of amino-oxo-[sulfamoyl(sulfinato)amino]methane?
The InChIKey is FEGCMAVHMITPQS-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5N3O5S2/c2-1(5)4(10(6)7)11(3,8)9/h(H2,2,5)(H,6,7)(H2,3,8,9)/p-1.
What are the key properties of amino-oxo-[sulfamoyl(sulfinato)amino]methane?
amino-oxo-[sulfamoyl(sulfinato)amino]methane has a molecular weight of 202.19 g/mol, XLogP of -2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxo-[sulfamoyl(sulfinato)amino]methane is sourced from PubChem (CID 57254178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).