2-azaniumylethylazanium disulfamate

C2H14N4O6S2 — CID 57350318

IUPAC2-azaniumylethylazanium disulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2H3NO3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*(H3,1,2,3,4)
InChIKeyNGAPHISYBLYKTB-UHFFFAOYSA-N
MW254.29 g/mol
LogP-5.72
Rot. Bonds1

About 2-azaniumylethylazanium disulfamate

2-azaniumylethylazanium disulfamate (PubChem CID 57350318) has the molecular formula C2H14N4O6S2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-azaniumylethylazanium disulfamate.

Molecular Properties

Compound Name2-azaniumylethylazanium disulfamate
PubChem CID57350318
Molecular FormulaC2H14N4O6S2
Molecular Weight254.29 g/mol
Exact Mass254.04
IUPAC Name2-azaniumylethylazanium disulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2H3NO3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*(H3,1,2,3,4)
InChIKeyNGAPHISYBLYKTB-UHFFFAOYSA-N
XLogP-5.72
TPSA221.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-5.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium disulfamate?
The IUPAC name of 2-azaniumylethylazanium disulfamate (CID 57350318) is 2-azaniumylethylazanium disulfamate.
What is the SMILES notation for 2-azaniumylethylazanium disulfamate?
The canonical SMILES for 2-azaniumylethylazanium disulfamate is NS(=O)(=O)[O-].NS(=O)(=O)[O-].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium disulfamate?
The InChIKey is NGAPHISYBLYKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2H3NO3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*(H3,1,2,3,4).
What are the key properties of 2-azaniumylethylazanium disulfamate?
2-azaniumylethylazanium disulfamate has a molecular weight of 254.29 g/mol, XLogP of -5.72, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium disulfamate is sourced from PubChem (CID 57350318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).