sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate

C3H9N4NaO6S2 — CID 174530568

IUPACsodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O.[H-].[Na+]
InChIInChI=1S/C3H8N4O6S2.Na.H/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10;;/h1H2,(H4,4,5,7)(H2,6,9,10);;/q;+1;-1
InChIKeyAFELMZXLDCBITE-UHFFFAOYSA-N
MW284.25 g/mol
LogP-6.55
Rot. Bonds4

About sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate

sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate (PubChem CID 174530568) has the molecular formula C3H9N4NaO6S2 and a molecular weight of 284.25 g/mol. Its IUPAC name is sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Namesodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
PubChem CID174530568
Molecular FormulaC3H9N4NaO6S2
Molecular Weight284.25 g/mol
Exact Mass283.99
IUPAC Namesodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O.[H-].[Na+]
InChIInChI=1S/C3H8N4O6S2.Na.H/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10;;/h1H2,(H4,4,5,7)(H2,6,9,10);;/q;+1;-1
InChIKeyAFELMZXLDCBITE-UHFFFAOYSA-N
XLogP-6.55
TPSA185.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 5-6.55
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'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate (CID 174530568) is sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)OS(=O)(=O)S(N)(=O)=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
The InChIKey is AFELMZXLDCBITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O6S2.Na.H/c4-3(5)7-1-2(8)13-15(11,12)14(6,9)10;;/h1H2,(H4,4,5,7)(H2,6,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate?
sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate has a molecular weight of 284.25 g/mol, XLogP of -6.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfamoylsulfonyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174530568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).