ethane-1,2-diamine;sulfamic acid

C2H11N3O3S — CID 88725920

IUPACethane-1,2-diamine;sulfamic acid
SMILESNCCN.NS(=O)(=O)O
InChIInChI=1S/C2H8N2.H3NO3S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)
InChIKeyKKFNQQCYXJJANF-UHFFFAOYSA-N
MW157.19 g/mol
LogP-2.35
Rot. Bonds1

About ethane-1,2-diamine;sulfamic acid

ethane-1,2-diamine;sulfamic acid (PubChem CID 88725920) has the molecular formula C2H11N3O3S and a molecular weight of 157.19 g/mol. Its IUPAC name is ethane-1,2-diamine;sulfamic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;sulfamic acid
PubChem CID88725920
Molecular FormulaC2H11N3O3S
Molecular Weight157.19 g/mol
Exact Mass157.05
IUPAC Nameethane-1,2-diamine;sulfamic acid
SMILESNCCN.NS(=O)(=O)O
InChIInChI=1S/C2H8N2.H3NO3S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)
InChIKeyKKFNQQCYXJJANF-UHFFFAOYSA-N
XLogP-2.35
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 ethane-1,2-diamine;sulfamic acid?
The IUPAC name of ethane-1,2-diamine;sulfamic acid (CID 88725920) is ethane-1,2-diamine;sulfamic acid.
What is the SMILES notation for ethane-1,2-diamine;sulfamic acid?
The canonical SMILES for ethane-1,2-diamine;sulfamic acid is NCCN.NS(=O)(=O)O.
What is the InChIKey of ethane-1,2-diamine;sulfamic acid?
The InChIKey is KKFNQQCYXJJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.H3NO3S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4).
What are the key properties of ethane-1,2-diamine;sulfamic acid?
ethane-1,2-diamine;sulfamic acid has a molecular weight of 157.19 g/mol, XLogP of -2.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;sulfamic acid is sourced from PubChem (CID 88725920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).