2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione

C14H16N2O5S — CID 110740221

IUPAC2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
SMILESCC1OCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O5S/c1-10-16(6-8-21-10)22(19,20)9-7-15-13(17)11-4-2-3-5-12(11)14(15)18/h2-5,10H,6-9H2,1H3
InChIKeyIAAUKZSQTFRZQY-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.29
Rot. Bonds4

About 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione

2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione (PubChem CID 110740221) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
PubChem CID110740221
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
SMILESCC1OCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O5S/c1-10-16(6-8-21-10)22(19,20)9-7-15-13(17)11-4-2-3-5-12(11)14(15)18/h2-5,10H,6-9H2,1H3
InChIKeyIAAUKZSQTFRZQY-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)ethyl]isoindole-1,3-dione
CID 110312722
2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
CID 97307678
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110424774
1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
CID 110678594
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
CID 110398464
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione (CID 110740221) is 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione is CC1OCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione?
The InChIKey is IAAUKZSQTFRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-10-16(6-8-21-10)22(19,20)9-7-15-13(17)11-4-2-3-5-12(11)14(15)18/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione?
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione has a molecular weight of 324.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 110740221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).