1,1-dioxo-4-(sulfinatoamino)thiane

C5H10NO4S2- — CID 59744356

IUPAC1,1-dioxo-4-(sulfinatoamino)thiane
SMILESO=S([O-])NC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO4S2/c7-11(8)6-5-1-3-12(9,10)4-2-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyLLYMGBJDKQIFML-UHFFFAOYSA-M
MW212.27 g/mol
LogP-1.05
Rot. Bonds2

About 1,1-dioxo-4-(sulfinatoamino)thiane

1,1-dioxo-4-(sulfinatoamino)thiane (PubChem CID 59744356) has the molecular formula C5H10NO4S2- and a molecular weight of 212.27 g/mol. Its IUPAC name is 1,1-dioxo-4-(sulfinatoamino)thiane.

Molecular Properties

Compound Name1,1-dioxo-4-(sulfinatoamino)thiane
PubChem CID59744356
Molecular FormulaC5H10NO4S2-
Molecular Weight212.27 g/mol
Exact Mass212.01
IUPAC Name1,1-dioxo-4-(sulfinatoamino)thiane
SMILESO=S([O-])NC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO4S2/c7-11(8)6-5-1-3-12(9,10)4-2-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyLLYMGBJDKQIFML-UHFFFAOYSA-M
XLogP-1.05
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.05
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-4-(sulfinatoamino)thiane?
The IUPAC name of 1,1-dioxo-4-(sulfinatoamino)thiane (CID 59744356) is 1,1-dioxo-4-(sulfinatoamino)thiane.
What is the SMILES notation for 1,1-dioxo-4-(sulfinatoamino)thiane?
The canonical SMILES for 1,1-dioxo-4-(sulfinatoamino)thiane is O=S([O-])NC1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-4-(sulfinatoamino)thiane?
The InChIKey is LLYMGBJDKQIFML-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4S2/c7-11(8)6-5-1-3-12(9,10)4-2-5/h5-6H,1-4H2,(H,7,8)/p-1.
What are the key properties of 1,1-dioxo-4-(sulfinatoamino)thiane?
1,1-dioxo-4-(sulfinatoamino)thiane has a molecular weight of 212.27 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(sulfinatoamino)thiane is sourced from PubChem (CID 59744356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).