imidazolidine;methanamine;sulfuric acid

C4H15N3O4S — CID 174596844

IUPACimidazolidine;methanamine;sulfuric acid
SMILESC1CNCN1.CN.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h4-5H,1-3H2;2H2,1H3;(H2,1,2,3,4)
InChIKeyRRECKLYMJLERHM-UHFFFAOYSA-N
MW201.25 g/mol
LogP-1.94
Rot. Bonds

About imidazolidine;methanamine;sulfuric acid

imidazolidine;methanamine;sulfuric acid (PubChem CID 174596844) has the molecular formula C4H15N3O4S and a molecular weight of 201.25 g/mol. Its IUPAC name is imidazolidine;methanamine;sulfuric acid.

Molecular Properties

Compound Nameimidazolidine;methanamine;sulfuric acid
PubChem CID174596844
Molecular FormulaC4H15N3O4S
Molecular Weight201.25 g/mol
Exact Mass201.08
IUPAC Nameimidazolidine;methanamine;sulfuric acid
SMILESC1CNCN1.CN.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h4-5H,1-3H2;2H2,1H3;(H2,1,2,3,4)
InChIKeyRRECKLYMJLERHM-UHFFFAOYSA-N
XLogP-1.94
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-1.94
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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Related Compounds

imidazolidine;sulfuric acid
CID 70477093
imidazolidine;methanol
CID 160892789
methanamine;methane;sulfuric acid
CID 173391364
imidazolidine;phosphoric acid
CID 174516129
imidazolidine;oxalic acid
CID 174299002
1,3,5-triazepane
CID 22147931
imidazolidine;hydrofluoride
CID 69023046
ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine
CID 175002873
5,8-diazaspiro[2.6]nonane;sulfuric acid
CID 71811338
ethane-1,2-disulfonic acid;piperazine
CID 174840116
ethanol;methanamine;sulfuric acid
CID 174912363
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836

Frequently Asked Questions

What is the IUPAC name of imidazolidine;methanamine;sulfuric acid?
The IUPAC name of imidazolidine;methanamine;sulfuric acid (CID 174596844) is imidazolidine;methanamine;sulfuric acid.
What is the SMILES notation for imidazolidine;methanamine;sulfuric acid?
The canonical SMILES for imidazolidine;methanamine;sulfuric acid is C1CNCN1.CN.O=S(=O)(O)O.
What is the InChIKey of imidazolidine;methanamine;sulfuric acid?
The InChIKey is RRECKLYMJLERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h4-5H,1-3H2;2H2,1H3;(H2,1,2,3,4).
What are the key properties of imidazolidine;methanamine;sulfuric acid?
imidazolidine;methanamine;sulfuric acid has a molecular weight of 201.25 g/mol, XLogP of -1.94, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine;methanamine;sulfuric acid is sourced from PubChem (CID 174596844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).