8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C14H20N2O3S — CID 131663196

IUPAC8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1cccnc1)C2
InChIInChI=1S/C14H20N2O3S/c1-19-9-13-4-6-20(17,18)14(13)10-16(11-14)8-12-3-2-5-15-7-12/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyVZPQBMDLEPHLRY-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.72
Rot. Bonds4

About 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 131663196) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID131663196
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1cccnc1)C2
InChIInChI=1S/C14H20N2O3S/c1-19-9-13-4-6-20(17,18)14(13)10-16(11-14)8-12-3-2-5-15-7-12/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyVZPQBMDLEPHLRY-UHFFFAOYSA-N
XLogP0.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide with MolForge

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Related Compounds

(8R)-8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124797580
2-[(1-methylpyrazol-4-yl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;bis(2,2,2-trifluoroacetic acid)
CID 155826534
(8S)-8-(ethoxymethyl)-2-(pyridin-4-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124870152
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131652555
8-(methoxymethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;bis(2,2,2-trifluoroacetic acid)
CID 155854318
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133136275
[5,5-dioxo-8-(pyridin-3-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657758
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124810214
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 124793674
[5,5-dioxo-8-(pyridin-3-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155862050

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 131663196) is 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is COCC1CCS(=O)(=O)C12CN(Cc1cccnc1)C2.
What is the InChIKey of 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is VZPQBMDLEPHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-9-13-4-6-20(17,18)14(13)10-16(11-14)8-12-3-2-5-15-7-12/h2-3,5,7,13H,4,6,8-11H2,1H3.
What are the key properties of 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 296.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 131663196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).