[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone

C15H20N2O4S — CID 124817712

IUPAC[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C15H20N2O4S/c1-11-3-4-12(7-16-11)14(18)17-9-15(10-17)13(8-21-2)5-6-22(15,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyXAWWDXCPAPNMJU-ZDUSSCGKSA-N
MW324.40 g/mol
LogP0.67
Rot. Bonds3

About [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone

[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124817712) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID124817712
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C15H20N2O4S/c1-11-3-4-12(7-16-11)14(18)17-9-15(10-17)13(8-21-2)5-6-22(15,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyXAWWDXCPAPNMJU-ZDUSSCGKSA-N
XLogP0.67
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 124793674
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 124794690
(6-methoxy-3-pyridinyl)-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066586
[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851376
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 129485933
(3-methylphenyl)-[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669125
8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131663196
[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(5-methylfuran-2-yl)methanone
CID 131653564
[8-[(4-methylpyrimidin-2-yl)oxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(1H-pyrazol-5-yl)methanone
CID 131671692
2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124915542
[5,5-dioxo-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 131658277

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone (CID 124817712) is [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone is COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)nc1)C2.
What is the InChIKey of [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is XAWWDXCPAPNMJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11-3-4-12(7-16-11)14(18)17-9-15(10-17)13(8-21-2)5-6-22(15,19)20/h3-4,7,13H,5-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone?
[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 324.40 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124817712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).