2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C13H23NO5S — CID 131669103

IUPAC2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(C1)C(COCC)CCS2(=O)=O
InChIInChI=1S/C13H23NO5S/c1-3-18-7-11-5-6-20(16,17)13(11)9-14(10-13)12(15)8-19-4-2/h11H,3-10H2,1-2H3
InChIKeyGENPLXXOKMISOZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.08
Rot. Bonds6

About 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 131669103) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID131669103
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOCC(=O)N1CC2(C1)C(COCC)CCS2(=O)=O
InChIInChI=1S/C13H23NO5S/c1-3-18-7-11-5-6-20(16,17)13(11)9-14(10-13)12(15)8-19-4-2/h11H,3-10H2,1-2H3
InChIKeyGENPLXXOKMISOZ-UHFFFAOYSA-N
XLogP0.08
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143160
(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124869887
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124809833
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 124912360
8-(ethoxymethyl)-2-[(4-methylphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131652580
cyclobutyl-[8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669114
(8S)-8-(ethoxymethyl)-2-(pyridin-4-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124870152
1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 124822176
2-ethoxy-1-[8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131669244
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 124794690
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-[[2-(2-ethoxyacetyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 131669248

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 131669103) is 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is CCOCC(=O)N1CC2(C1)C(COCC)CCS2(=O)=O.
What is the InChIKey of 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is GENPLXXOKMISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-3-18-7-11-5-6-20(16,17)13(11)9-14(10-13)12(15)8-19-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 305.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 131669103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).