5-tert-butyl-3H-oxathiadiazole 2,2-dioxide

C5H10N2O3S — CID 23405150

IUPAC5-tert-butyl-3H-oxathiadiazole 2,2-dioxide
SMILESCC(C)(C)C1=NNS(=O)(=O)O1
InChIInChI=1S/C5H10N2O3S/c1-5(2,3)4-6-7-11(8,9)10-4/h7H,1-3H3
InChIKeyRFLQFDYSHLLZQK-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.21
Rot. Bonds

About 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide

5-tert-butyl-3H-oxathiadiazole 2,2-dioxide (PubChem CID 23405150) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide.

Molecular Properties

Compound Name5-tert-butyl-3H-oxathiadiazole 2,2-dioxide
PubChem CID23405150
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name5-tert-butyl-3H-oxathiadiazole 2,2-dioxide
SMILESCC(C)(C)C1=NNS(=O)(=O)O1
InChIInChI=1S/C5H10N2O3S/c1-5(2,3)4-6-7-11(8,9)10-4/h7H,1-3H3
InChIKeyRFLQFDYSHLLZQK-UHFFFAOYSA-N
XLogP0.21
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide?
The IUPAC name of 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide (CID 23405150) is 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide.
What is the SMILES notation for 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide?
The canonical SMILES for 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide is CC(C)(C)C1=NNS(=O)(=O)O1.
What is the InChIKey of 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide?
The InChIKey is RFLQFDYSHLLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-5(2,3)4-6-7-11(8,9)10-4/h7H,1-3H3.
What are the key properties of 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide?
5-tert-butyl-3H-oxathiadiazole 2,2-dioxide has a molecular weight of 178.21 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-oxathiadiazole 2,2-dioxide is sourced from PubChem (CID 23405150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).