3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide

C10H11NO3S — CID 84624877

IUPAC3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
SMILESO=S1(=O)CC2Nc3ccccc3OC2C1
InChIInChI=1S/C10H11NO3S/c12-15(13)5-8-10(6-15)14-9-4-2-1-3-7(9)11-8/h1-4,8,10-11H,5-6H2
InChIKeyHNAWHDGWRFCLPC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.66
Rot. Bonds

About 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide

3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide (PubChem CID 84624877) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide.

Molecular Properties

Compound Name3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
PubChem CID84624877
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
SMILESO=S1(=O)CC2Nc3ccccc3OC2C1
InChIInChI=1S/C10H11NO3S/c12-15(13)5-8-10(6-15)14-9-4-2-1-3-7(9)11-8/h1-4,8,10-11H,5-6H2
InChIKeyHNAWHDGWRFCLPC-UHFFFAOYSA-N
XLogP0.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide?
The IUPAC name of 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide (CID 84624877) is 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide.
What is the SMILES notation for 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide?
The canonical SMILES for 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide is O=S1(=O)CC2Nc3ccccc3OC2C1.
What is the InChIKey of 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide?
The InChIKey is HNAWHDGWRFCLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-15(13)5-8-10(6-15)14-9-4-2-1-3-7(9)11-8/h1-4,8,10-11H,5-6H2.
What are the key properties of 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide?
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide has a molecular weight of 225.27 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide is sourced from PubChem (CID 84624877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).