sulfamoyl 2-(diaminomethylideneamino)acetate

C3H8N4O4S — CID 174544554

IUPACsulfamoyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(N)(=O)=O
InChIInChI=1S/C3H8N4O4S/c4-3(5)7-1-2(8)11-12(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10)
InChIKeyRDRKMPRUFADQPV-UHFFFAOYSA-N
MW196.19 g/mol
LogP-2.99
Rot. Bonds3

About sulfamoyl 2-(diaminomethylideneamino)acetate

sulfamoyl 2-(diaminomethylideneamino)acetate (PubChem CID 174544554) has the molecular formula C3H8N4O4S and a molecular weight of 196.19 g/mol. Its IUPAC name is sulfamoyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Namesulfamoyl 2-(diaminomethylideneamino)acetate
PubChem CID174544554
Molecular FormulaC3H8N4O4S
Molecular Weight196.19 g/mol
Exact Mass196.03
IUPAC Namesulfamoyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(N)(=O)=O
InChIInChI=1S/C3H8N4O4S/c4-3(5)7-1-2(8)11-12(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10)
InChIKeyRDRKMPRUFADQPV-UHFFFAOYSA-N
XLogP-2.99
TPSA150.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of sulfamoyl 2-(diaminomethylideneamino)acetate (CID 174544554) is sulfamoyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for sulfamoyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for sulfamoyl 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)OS(N)(=O)=O.
What is the InChIKey of sulfamoyl 2-(diaminomethylideneamino)acetate?
The InChIKey is RDRKMPRUFADQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O4S/c4-3(5)7-1-2(8)11-12(6,9)10/h1H2,(H4,4,5,7)(H2,6,9,10).
What are the key properties of sulfamoyl 2-(diaminomethylideneamino)acetate?
sulfamoyl 2-(diaminomethylideneamino)acetate has a molecular weight of 196.19 g/mol, XLogP of -2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174544554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).