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

C15H20FNO3S — CID 131652555

IUPAC2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2
InChIInChI=1S/C15H20FNO3S/c1-20-9-13-6-7-21(18,19)15(13)10-17(11-15)8-12-4-2-3-5-14(12)16/h2-5,13H,6-11H2,1H3
InChIKeyJNFXUKRMXPRZID-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.46
Rot. Bonds4

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

2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 131652555) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID131652555
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOCC1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2
InChIInChI=1S/C15H20FNO3S/c1-20-9-13-6-7-21(18,19)15(13)10-17(11-15)8-12-4-2-3-5-14(12)16/h2-5,13H,6-11H2,1H3
InChIKeyJNFXUKRMXPRZID-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131638720
2-[(2-fluorophenyl)methyl]-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;2,2,2-trifluoroacetic acid
CID 155859793
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-benzyl-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133136275
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124810214
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155842720
(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
2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131655467
2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 131652555) is 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is COCC1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is JNFXUKRMXPRZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-20-9-13-6-7-21(18,19)15(13)10-17(11-15)8-12-4-2-3-5-14(12)16/h2-5,13H,6-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 313.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 131652555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).