sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate

C3H8N4O6S2 — CID 174530569

IUPACsulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/C3H8N4O6S2/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10)
InChIKeyCMZCWNQBLBXYNJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP-3.66
Rot. Bonds4

About sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate

sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate (PubChem CID 174530569) has the molecular formula C3H8N4O6S2 and a molecular weight of 260.25 g/mol. Its IUPAC name is sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Namesulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
PubChem CID174530569
Molecular FormulaC3H8N4O6S2
Molecular Weight260.25 g/mol
Exact Mass259.99
IUPAC Namesulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/C3H8N4O6S2/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10)
InChIKeyCMZCWNQBLBXYNJ-UHFFFAOYSA-N
XLogP-3.66
TPSA185.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-3.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Diaminomethylideneamino)acetic acid;sulfuric acid
CID 12205330
2-(Diaminomethylideneamino)-1-oxo-1-(sulfinatoamino)oxyethane
CID 174506620
Sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
CID 174530568
Sodium;hydride;sulfamoyl 2-(diaminomethylideneamino)acetate
CID 174544553
Sulfamoyl 2-(diaminomethylideneamino)acetate
CID 174544554
2-(Diaminomethylideneamino)-1-oxo-1-(sulfinoamino)oxyethane
CID 174506621

Frequently Asked Questions

What is the IUPAC name of sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate (CID 174530569) is sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O.
What is the InChIKey of sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The InChIKey is CMZCWNQBLBXYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O6S2/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10).
What are the key properties of sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate has a molecular weight of 260.25 g/mol, XLogP of -3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174530569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).