3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine

C6H11NOS — CID 118210514

IUPAC3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine
SMILESC1CSC2COCC2N1
InChIInChI=1S/C6H11NOS/c1-2-9-6-4-8-3-5(6)7-1/h5-7H,1-4H2
InChIKeyUOXHMLAZRFKEIZ-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.09
Rot. Bonds

About 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine

3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine (PubChem CID 118210514) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine.

Molecular Properties

Compound Name3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine
PubChem CID118210514
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine
SMILESC1CSC2COCC2N1
InChIInChI=1S/C6H11NOS/c1-2-9-6-4-8-3-5(6)7-1/h5-7H,1-4H2
InChIKeyUOXHMLAZRFKEIZ-UHFFFAOYSA-N
XLogP0.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine?
The IUPAC name of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine (CID 118210514) is 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine.
What is the SMILES notation for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine?
The canonical SMILES for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine is C1CSC2COCC2N1.
What is the InChIKey of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine?
The InChIKey is UOXHMLAZRFKEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-9-6-4-8-3-5(6)7-1/h5-7H,1-4H2.
What are the key properties of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine?
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine has a molecular weight of 145.23 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]thiazine is sourced from PubChem (CID 118210514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).