8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C16H23NO4S — CID 131638720

IUPAC8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2
InChIInChI=1S/C16H23NO4S/c1-20-10-14-7-8-22(18,19)16(14)11-17(12-16)9-13-5-3-4-6-15(13)21-2/h3-6,14H,7-12H2,1-2H3
InChIKeySCYISZVVFXJZIH-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.33
Rot. Bonds5

About 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 131638720) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID131638720
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2
InChIInChI=1S/C16H23NO4S/c1-20-10-14-7-8-22(18,19)16(14)11-17(12-16)9-13-5-3-4-6-15(13)21-2/h3-6,14H,7-12H2,1-2H3
InChIKeySCYISZVVFXJZIH-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide with MolForge

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Related Compounds

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
(8R)-8-(methoxymethyl)-2-(pyridin-3-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124797580
2-(4-fluoro-2-methoxyphenyl)-1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124915542
(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124815773
(8R)-8-(ethoxymethyl)-2-(quinolin-2-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124869855
1-[(8R)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 124821417
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133136275
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 131638720) is 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is COCC1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2.
What is the InChIKey of 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is SCYISZVVFXJZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-20-10-14-7-8-22(18,19)16(14)11-17(12-16)9-13-5-3-4-6-15(13)21-2/h3-6,14H,7-12H2,1-2H3.
What are the key properties of 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 325.43 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 131638720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).