azane;ethane-1,2-diamine;sulfuric acid

C2H13N3O4S — CID 175425988

IUPACazane;ethane-1,2-diamine;sulfuric acid
SMILESN.NCCN.O=S(=O)(O)O
InChIInChI=1S/C2H8N2.H3N.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;1H3;(H2,1,2,3,4)
InChIKeySUOVUNPHHWNMTO-UHFFFAOYSA-N
MW175.21 g/mol
LogP-1.59
Rot. Bonds1

About azane;ethane-1,2-diamine;sulfuric acid

azane;ethane-1,2-diamine;sulfuric acid (PubChem CID 175425988) has the molecular formula C2H13N3O4S and a molecular weight of 175.21 g/mol. Its IUPAC name is azane;ethane-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Nameazane;ethane-1,2-diamine;sulfuric acid
PubChem CID175425988
Molecular FormulaC2H13N3O4S
Molecular Weight175.21 g/mol
Exact Mass175.06
IUPAC Nameazane;ethane-1,2-diamine;sulfuric acid
SMILESN.NCCN.O=S(=O)(O)O
InChIInChI=1S/C2H8N2.H3N.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;1H3;(H2,1,2,3,4)
InChIKeySUOVUNPHHWNMTO-UHFFFAOYSA-N
XLogP-1.59
TPSA161.64 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 azane;ethane-1,2-diamine;sulfuric acid?
The IUPAC name of azane;ethane-1,2-diamine;sulfuric acid (CID 175425988) is azane;ethane-1,2-diamine;sulfuric acid.
What is the SMILES notation for azane;ethane-1,2-diamine;sulfuric acid?
The canonical SMILES for azane;ethane-1,2-diamine;sulfuric acid is N.NCCN.O=S(=O)(O)O.
What is the InChIKey of azane;ethane-1,2-diamine;sulfuric acid?
The InChIKey is SUOVUNPHHWNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.H3N.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;1H3;(H2,1,2,3,4).
What are the key properties of azane;ethane-1,2-diamine;sulfuric acid?
azane;ethane-1,2-diamine;sulfuric acid has a molecular weight of 175.21 g/mol, XLogP of -1.59, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane-1,2-diamine;sulfuric acid is sourced from PubChem (CID 175425988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).