(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one

C8H10O4S — CID 10330483

IUPAC(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one
SMILESO=C1OC[C@@H]2[C@H]1[C@H]1CCS(=O)(=O)[C@H]12
InChIInChI=1S/C8H10O4S/c9-8-6-4-1-2-13(10,11)7(4)5(6)3-12-8/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyOLWLGIPYFWRXJQ-DBRKOABJSA-N
MW202.23 g/mol
LogP-0.41
Rot. Bonds

About (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one

(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one (PubChem CID 10330483) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one.

Molecular Properties

Compound Name(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one
PubChem CID10330483
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one
SMILESO=C1OC[C@@H]2[C@H]1[C@H]1CCS(=O)(=O)[C@H]12
InChIInChI=1S/C8H10O4S/c9-8-6-4-1-2-13(10,11)7(4)5(6)3-12-8/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyOLWLGIPYFWRXJQ-DBRKOABJSA-N
XLogP-0.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one with MolForge

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Launch Full Analysis

Related Compounds

Hexahydrothieno[3',4':3,4]cyclobuta[1,2-c]furan-1,3-dione 5,5-dioxide
CID 4155744
3,3-Dioxo-9-oxa-3lambda6-thiatricyclo[5.3.0.02,6]decane-8,10-dione
CID 14938410
(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3lambda6-thiatricyclo[5.3.0.02,6]decane-8,10-dione
CID 9990877
dimethyl (1R,5R,6R,7S)-2,2-dioxo-2lambda6-thiabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 10355335
dipropan-2-yl (1R,5R,6R,7S)-2,2-dioxo-2lambda6-thiabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 10358502
2-Methyl-9,9-dioxo-4-oxa-9lambda6-thiatricyclo[5.3.0.02,6]decane-3,5-dione
CID 10751920
1-Methyl-9,9-dioxo-4-oxa-9lambda6-thiatricyclo[5.3.0.02,6]decane-3,5-dione
CID 10847037
(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3lambda6-thiatricyclo[5.3.0.02,6]decan-10-one
CID 10262243
diethyl (1R,5R,6R,7S)-2,2-dioxo-2lambda6-thiabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 10401958
(1S,6S,7R)-9,9-dioxo-4-oxa-9lambda6-thiatricyclo[5.3.0.02,6]decane-3,5-dione
CID 11944766
(1R,6S,7S)-9,9-dioxo-4-oxa-9lambda6-thiatricyclo[5.3.0.02,6]decane-3,5-dione
CID 11944767
(1R,2S,7R)-9,9-dioxo-4-oxa-9lambda6-thiatricyclo[5.3.0.02,6]decane-3,5-dione
CID 11944768

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one?
The IUPAC name of (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one (CID 10330483) is (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one.
What is the SMILES notation for (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one?
The canonical SMILES for (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one is O=C1OC[C@@H]2[C@H]1[C@H]1CCS(=O)(=O)[C@H]12.
What is the InChIKey of (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one?
The InChIKey is OLWLGIPYFWRXJQ-DBRKOABJSA-N. The full InChI is InChI=1S/C8H10O4S/c9-8-6-4-1-2-13(10,11)7(4)5(6)3-12-8/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one?
(1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one has a molecular weight of 202.23 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7R)-3,3-dioxo-9-oxa-3λ6-thiatricyclo[5.3.0.02,6]decan-8-one is sourced from PubChem (CID 10330483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).