1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one

C8H14N2O3S — CID 165485730

IUPAC1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one
SMILESCCN1C2(CCNC2)C(=O)CS1(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-2-10-8(3-4-9-6-8)7(11)5-14(10,12)13/h9H,2-6H2,1H3
InChIKeyAPNUGKMKNGXSRA-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.05
Rot. Bonds1

About 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one

1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one (PubChem CID 165485730) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one
PubChem CID165485730
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one
SMILESCCN1C2(CCNC2)C(=O)CS1(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-2-10-8(3-4-9-6-8)7(11)5-14(10,12)13/h9H,2-6H2,1H3
InChIKeyAPNUGKMKNGXSRA-UHFFFAOYSA-N
XLogP-1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one (CID 165485730) is 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one is CCN1C2(CCNC2)C(=O)CS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one?
The InChIKey is APNUGKMKNGXSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-10-8(3-4-9-6-8)7(11)5-14(10,12)13/h9H,2-6H2,1H3.
What are the key properties of 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one?
1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one has a molecular weight of 218.28 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dioxo-2λ6-thia-1,7-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 165485730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).