imidazolidine;sulfuric acid

C3H10N2O4S — CID 70477093

IUPACimidazolidine;sulfuric acid
SMILESC1CNCN1.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H2,1,2,3,4)
InChIKeyFNJTXEOAQSUHAK-UHFFFAOYSA-N
MW170.19 g/mol
LogP-1.52
Rot. Bonds

About imidazolidine;sulfuric acid

imidazolidine;sulfuric acid (PubChem CID 70477093) has the molecular formula C3H10N2O4S and a molecular weight of 170.19 g/mol. Its IUPAC name is imidazolidine;sulfuric acid.

Molecular Properties

Compound Nameimidazolidine;sulfuric acid
PubChem CID70477093
Molecular FormulaC3H10N2O4S
Molecular Weight170.19 g/mol
Exact Mass170.04
IUPAC Nameimidazolidine;sulfuric acid
SMILESC1CNCN1.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H2,1,2,3,4)
InChIKeyFNJTXEOAQSUHAK-UHFFFAOYSA-N
XLogP-1.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.52
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 imidazolidine;sulfuric acid?
The IUPAC name of imidazolidine;sulfuric acid (CID 70477093) is imidazolidine;sulfuric acid.
What is the SMILES notation for imidazolidine;sulfuric acid?
The canonical SMILES for imidazolidine;sulfuric acid is C1CNCN1.O=S(=O)(O)O.
What is the InChIKey of imidazolidine;sulfuric acid?
The InChIKey is FNJTXEOAQSUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.H2O4S/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H2,1,2,3,4).
What are the key properties of imidazolidine;sulfuric acid?
imidazolidine;sulfuric acid has a molecular weight of 170.19 g/mol, XLogP of -1.52, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine;sulfuric acid is sourced from PubChem (CID 70477093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).