10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one

C9H15NO4S — CID 84796178

IUPAC10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one
SMILESO=C1NCCC2(CCCS(=O)(=O)CC2)O1
InChIInChI=1S/C9H15NO4S/c11-8-10-5-3-9(14-8)2-1-6-15(12,13)7-4-9/h1-7H2,(H,10,11)
InChIKeyOTVVXDQMKFNCTB-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.45
Rot. Bonds

About 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one

10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one (PubChem CID 84796178) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one.

Molecular Properties

Compound Name10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one
PubChem CID84796178
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one
SMILESO=C1NCCC2(CCCS(=O)(=O)CC2)O1
InChIInChI=1S/C9H15NO4S/c11-8-10-5-3-9(14-8)2-1-6-15(12,13)7-4-9/h1-7H2,(H,10,11)
InChIKeyOTVVXDQMKFNCTB-UHFFFAOYSA-N
XLogP0.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one?
The IUPAC name of 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one (CID 84796178) is 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one.
What is the SMILES notation for 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one?
The canonical SMILES for 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one is O=C1NCCC2(CCCS(=O)(=O)CC2)O1.
What is the InChIKey of 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one?
The InChIKey is OTVVXDQMKFNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-8-10-5-3-9(14-8)2-1-6-15(12,13)7-4-9/h1-7H2,(H,10,11).
What are the key properties of 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one?
10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one has a molecular weight of 233.29 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-1-oxa-10λ6-thia-3-azaspiro[5.6]dodecan-2-one is sourced from PubChem (CID 84796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).