7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one

C7H10O4S — CID 103439763

IUPAC7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCS(=O)(=O)C2)O1
InChIInChI=1S/C7H10O4S/c8-6-1-2-7(11-6)3-4-12(9,10)5-7/h1-5H2
InChIKeyHCPODMSDFNGXFZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.12
Rot. Bonds

About 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one

7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one (PubChem CID 103439763) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one
PubChem CID103439763
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Name7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCS(=O)(=O)C2)O1
InChIInChI=1S/C7H10O4S/c8-6-1-2-7(11-6)3-4-12(9,10)5-7/h1-5H2
InChIKeyHCPODMSDFNGXFZ-UHFFFAOYSA-N
XLogP-0.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylsulfonyl-5,5-dipropyloxolan-2-one
CID 85953732
3-Methyl-4-(4-methyl-1,1-dioxothiolan-3-yl)oxolane-2,5-dione
CID 20746803
Methane;3-methyl-4-(4-methyl-1,1-dioxothiolan-3-yl)oxolane-2,5-dione
CID 160236194
Methane;3-methyl-4-(4-methyl-1,1-dioxothiolan-3-yl)oxolane-2,5-dione
CID 160270385
3,3,6-Trimethyl-7-oxo-1-oxa-7lambda4-thiaspiro[4.4]nonan-2-one
CID 163542576
Tert-butyl 2-(3-methyl-1,1-dioxothiolan-2-yl)acetate
CID 168954771
3-(3-Hydroxy-1,1-dioxothiolan-3-yl)propanoic acid
CID 66322776
1-Oxa-7-thiaspiro[4.4]nonan-2-one
CID 103439747
9,9-Dioxo-1-oxa-9lambda6-thiaspiro[4.5]decan-2-one
CID 103439764
8,8-Dioxo-1-oxa-8lambda6-thiaspiro[4.5]decan-2-one
CID 103439894
6-Methyl-1-oxa-7-thiaspiro[4.4]nonan-2-one
CID 108425277
3-(1,1-Dioxo-1lambda6-thiolan-3-yl)oxolane-2,5-dione
CID 165464474

Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one?
The IUPAC name of 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one (CID 103439763) is 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one?
The canonical SMILES for 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one is O=C1CCC2(CCS(=O)(=O)C2)O1.
What is the InChIKey of 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one?
The InChIKey is HCPODMSDFNGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c8-6-1-2-7(11-6)3-4-12(9,10)5-7/h1-5H2.
What are the key properties of 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one?
7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one has a molecular weight of 190.22 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonan-2-one is sourced from PubChem (CID 103439763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).