imidazolidine-1-sulfinate

C3H7N2O2S- — CID 57248704

IUPACimidazolidine-1-sulfinate
SMILESO=S([O-])N1CCNC1
InChIInChI=1S/C3H8N2O2S/c6-8(7)5-2-1-4-3-5/h4H,1-3H2,(H,6,7)/p-1
InChIKeyOZNZXIMNYOBHBO-UHFFFAOYSA-M
MW135.17 g/mol
LogP-1.36
Rot. Bonds1

About imidazolidine-1-sulfinate

imidazolidine-1-sulfinate (PubChem CID 57248704) has the molecular formula C3H7N2O2S- and a molecular weight of 135.17 g/mol. Its IUPAC name is imidazolidine-1-sulfinate.

Molecular Properties

Compound Nameimidazolidine-1-sulfinate
PubChem CID57248704
Molecular FormulaC3H7N2O2S-
Molecular Weight135.17 g/mol
Exact Mass135.02
IUPAC Nameimidazolidine-1-sulfinate
SMILESO=S([O-])N1CCNC1
InChIInChI=1S/C3H8N2O2S/c6-8(7)5-2-1-4-3-5/h4H,1-3H2,(H,6,7)/p-1
InChIKeyOZNZXIMNYOBHBO-UHFFFAOYSA-M
XLogP-1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-1-sulfinate?
The IUPAC name of imidazolidine-1-sulfinate (CID 57248704) is imidazolidine-1-sulfinate.
What is the SMILES notation for imidazolidine-1-sulfinate?
The canonical SMILES for imidazolidine-1-sulfinate is O=S([O-])N1CCNC1.
What is the InChIKey of imidazolidine-1-sulfinate?
The InChIKey is OZNZXIMNYOBHBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8N2O2S/c6-8(7)5-2-1-4-3-5/h4H,1-3H2,(H,6,7)/p-1.
What are the key properties of imidazolidine-1-sulfinate?
imidazolidine-1-sulfinate has a molecular weight of 135.17 g/mol, XLogP of -1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-1-sulfinate is sourced from PubChem (CID 57248704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).