4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide

C6H10N2O4S — CID 175934602

IUPAC4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide
SMILESO=S1(=O)OC2CCC3CN2CN3O1
InChIInChI=1S/C6H10N2O4S/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13/h5-6H,1-4H2
InChIKeyOTIMIFOXVCXLDV-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.74
Rot. Bonds

About 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide

4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide (PubChem CID 175934602) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide.

Molecular Properties

Compound Name4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide
PubChem CID175934602
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide
SMILESO=S1(=O)OC2CCC3CN2CN3O1
InChIInChI=1S/C6H10N2O4S/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13/h5-6H,1-4H2
InChIKeyOTIMIFOXVCXLDV-UHFFFAOYSA-N
XLogP-0.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide with MolForge

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Related Compounds

(7R,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934667
(7S,10R)-7-(fluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934669
(7S,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934683
CID 175934601
CID 175934601
CID 175934666
CID 175934666
CID 175934682
CID 175934682

Frequently Asked Questions

What is the IUPAC name of 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide?
The IUPAC name of 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide (CID 175934602) is 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide.
What is the SMILES notation for 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide?
The canonical SMILES for 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide is O=S1(=O)OC2CCC3CN2CN3O1.
What is the InChIKey of 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide?
The InChIKey is OTIMIFOXVCXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c9-13(10)11-6-2-1-5-3-7(6)4-8(5)12-13/h5-6H,1-4H2.
What are the key properties of 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide?
4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide has a molecular weight of 206.22 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dioxa-5λ6-thia-1,3-diazatricyclo[5.4.0.03,10]undecane 5,5-dioxide is sourced from PubChem (CID 175934602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).