1,1-dioxo-3-(sulfinatoamino)thiolane

C4H8NO4S2- — CID 59744456

IUPAC1,1-dioxo-3-(sulfinatoamino)thiolane
SMILESO=S([O-])NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO4S2/c6-10(7)5-4-1-2-11(8,9)3-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyGLSZMDILIYREBO-UHFFFAOYSA-M
MW198.24 g/mol
LogP-1.44
Rot. Bonds2

About 1,1-dioxo-3-(sulfinatoamino)thiolane

1,1-dioxo-3-(sulfinatoamino)thiolane (PubChem CID 59744456) has the molecular formula C4H8NO4S2- and a molecular weight of 198.24 g/mol. Its IUPAC name is 1,1-dioxo-3-(sulfinatoamino)thiolane.

Molecular Properties

Compound Name1,1-dioxo-3-(sulfinatoamino)thiolane
PubChem CID59744456
Molecular FormulaC4H8NO4S2-
Molecular Weight198.24 g/mol
Exact Mass197.99
IUPAC Name1,1-dioxo-3-(sulfinatoamino)thiolane
SMILESO=S([O-])NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO4S2/c6-10(7)5-4-1-2-11(8,9)3-4/h4-5H,1-3H2,(H,6,7)/p-1
InChIKeyGLSZMDILIYREBO-UHFFFAOYSA-M
XLogP-1.44
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1-dioxo-3-(sulfinatoamino)thiolane?
The IUPAC name of 1,1-dioxo-3-(sulfinatoamino)thiolane (CID 59744456) is 1,1-dioxo-3-(sulfinatoamino)thiolane.
What is the SMILES notation for 1,1-dioxo-3-(sulfinatoamino)thiolane?
The canonical SMILES for 1,1-dioxo-3-(sulfinatoamino)thiolane is O=S([O-])NC1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-(sulfinatoamino)thiolane?
The InChIKey is GLSZMDILIYREBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO4S2/c6-10(7)5-4-1-2-11(8,9)3-4/h4-5H,1-3H2,(H,6,7)/p-1.
What are the key properties of 1,1-dioxo-3-(sulfinatoamino)thiolane?
1,1-dioxo-3-(sulfinatoamino)thiolane has a molecular weight of 198.24 g/mol, XLogP of -1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(sulfinatoamino)thiolane is sourced from PubChem (CID 59744456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).