1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one

C9H15NO3S — CID 66106130

IUPAC1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one
SMILESCCC1NC(=O)CC12CCS(=O)(=O)C2
InChIInChI=1S/C9H15NO3S/c1-2-7-9(5-8(11)10-7)3-4-14(12,13)6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyQAKVQXRNXUAJNX-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.09
Rot. Bonds1

About 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one

1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one (PubChem CID 66106130) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one
PubChem CID66106130
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one
SMILESCCC1NC(=O)CC12CCS(=O)(=O)C2
InChIInChI=1S/C9H15NO3S/c1-2-7-9(5-8(11)10-7)3-4-14(12,13)6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyQAKVQXRNXUAJNX-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-azaspiro[3.4]octan-7-one
CID 81251758
1-(2-methylpropyl)-9,9-dioxo-9λ6-thia-2-azaspiro[4.5]decan-3-one
CID 66108308
1,8-diethyl-2-azaspiro[4.4]nonan-3-one
CID 66106354
1-ethyl-8-propyl-2-azaspiro[4.5]decan-3-one
CID 66106559
11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79320480
1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874742
1-ethyl-8-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 79950542
1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66106138
1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
CID 66108752
5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one
CID 81251872
5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
CID 66107860
1-methyl-2-azaspiro[4.5]decan-3-one
CID 66108261

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one (CID 66106130) is 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one is CCC1NC(=O)CC12CCS(=O)(=O)C2.
What is the InChIKey of 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one?
The InChIKey is QAKVQXRNXUAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-7-9(5-8(11)10-7)3-4-14(12,13)6-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one?
1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one has a molecular weight of 217.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7,7-dioxo-7λ6-thia-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 66106130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).