7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one

C7H11NO3S — CID 115017831

IUPAC7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
SMILESO=C1CCNC12CCS(=O)(=O)C2
InChIInChI=1S/C7H11NO3S/c9-6-1-3-8-7(6)2-4-12(10,11)5-7/h8H,1-5H2
InChIKeyAVIBPKRNDPFEFY-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.89
Rot. Bonds

About 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one

7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one (PubChem CID 115017831) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
PubChem CID115017831
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
SMILESO=C1CCNC12CCS(=O)(=O)C2
InChIInChI=1S/C7H11NO3S/c9-6-1-3-8-7(6)2-4-12(10,11)5-7/h8H,1-5H2
InChIKeyAVIBPKRNDPFEFY-UHFFFAOYSA-N
XLogP-0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,8-diazaspiro[4.5]decan-4-one;hydrochloride
CID 115018345
8-methyl-1-azaspiro[4.5]decan-4-one
CID 83826980
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
CID 115047183
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
CID 115025157
(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
CID 124505621
2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82996602
8,8-dioxo-8λ6-thia-1-azaspiro[3.5]nonan-2-one
CID 64665977
4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
CID 169147628
1-azadispiro[2.1.55.33]tridecan-13-one
CID 135365228

Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one?
The IUPAC name of 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one (CID 115017831) is 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one is O=C1CCNC12CCS(=O)(=O)C2.
What is the InChIKey of 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one?
The InChIKey is AVIBPKRNDPFEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-6-1-3-8-7(6)2-4-12(10,11)5-7/h8H,1-5H2.
What are the key properties of 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one?
7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one has a molecular weight of 189.24 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 115017831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).