3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C9H12N2O2S2 — CID 21048543

IUPAC3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC(C)(C)C1=NS(=O)(=O)c2ccsc2N1
InChIInChI=1S/C9H12N2O2S2/c1-9(2,3)8-10-7-6(4-5-14-7)15(12,13)11-8/h4-5H,1-3H3,(H,10,11)
InChIKeyONJQRUDJDXDCHM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds

About 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide

3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 21048543) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID21048543
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC(C)(C)C1=NS(=O)(=O)c2ccsc2N1
InChIInChI=1S/C9H12N2O2S2/c1-9(2,3)8-10-7-6(4-5-14-7)15(12,13)11-8/h4-5H,1-3H3,(H,10,11)
InChIKeyONJQRUDJDXDCHM-UHFFFAOYSA-N
XLogP2.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 21048543) is 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CC(C)(C)C1=NS(=O)(=O)c2ccsc2N1.
What is the InChIKey of 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is ONJQRUDJDXDCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-9(2,3)8-10-7-6(4-5-14-7)15(12,13)11-8/h4-5H,1-3H3,(H,10,11).
What are the key properties of 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 244.34 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4H-thieno[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 21048543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).