4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide

C8H15NO3S — CID 167265633

IUPAC4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCCN1CCOC2CS(=O)(=O)CC21
InChIInChI=1S/C8H15NO3S/c1-2-9-3-4-12-8-6-13(10,11)5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyNWZYGXATSNFDIU-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.50
Rot. Bonds1

About 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide

4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide (PubChem CID 167265633) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide.

Molecular Properties

Compound Name4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
PubChem CID167265633
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
SMILESCCN1CCOC2CS(=O)(=O)CC21
InChIInChI=1S/C8H15NO3S/c1-2-9-3-4-12-8-6-13(10,11)5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyNWZYGXATSNFDIU-UHFFFAOYSA-N
XLogP-0.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The IUPAC name of 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide (CID 167265633) is 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide.
What is the SMILES notation for 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The canonical SMILES for 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide is CCN1CCOC2CS(=O)(=O)CC21.
What is the InChIKey of 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
The InChIKey is NWZYGXATSNFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-9-3-4-12-8-6-13(10,11)5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide?
4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide has a molecular weight of 205.28 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide is sourced from PubChem (CID 167265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).