3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C14H16N2O5S — CID 122275171

IUPAC3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C14H16N2O5S/c1-10-2-4-12(5-3-10)22(19,20)15-6-11(7-15)8-16-13(17)9-21-14(16)18/h2-5,11H,6-9H2,1H3
InChIKeyJJUAWFICBGKVDX-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.59
Rot. Bonds4

About 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122275171) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122275171
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C14H16N2O5S/c1-10-2-4-12(5-3-10)22(19,20)15-6-11(7-15)8-16-13(17)9-21-14(16)18/h2-5,11H,6-9H2,1H3
InChIKeyJJUAWFICBGKVDX-UHFFFAOYSA-N
XLogP0.59
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122275128
3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122275169
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one;ethane
CID 143616504
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
(1R,5S)-7-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane-2,4-dione
CID 92539490
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 2906211
3,7-dibromo-3,7-bis(bromomethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane
CID 10557090
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122275171) is 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1.
What is the InChIKey of 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is JJUAWFICBGKVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-10-2-4-12(5-3-10)22(19,20)15-6-11(7-15)8-16-13(17)9-21-14(16)18/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 324.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122275171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).