2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione

C14H16N2O4S — CID 17422099

IUPAC2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H16N2O4S/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-21(19,20)15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2
InChIKeyCYSRYRWCDORXKT-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.71
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione

2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione (PubChem CID 17422099) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
PubChem CID17422099
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H16N2O4S/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-21(19,20)15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2
InChIKeyCYSRYRWCDORXKT-UHFFFAOYSA-N
XLogP0.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
CID 110678594
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110424774
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120710927
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
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-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[2-[[(11bS)-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl]sulfonyl]ethyl]isoindole-1,3-dione
CID 51711402
[1-[14-(1,3-dioxoisoindol-2-yl)tetradecylsulfonyl]piperidin-4-yl] carbamate
CID 175533409

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione (CID 17422099) is 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione?
The InChIKey is CYSRYRWCDORXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-21(19,20)15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione?
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione has a molecular weight of 308.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione is sourced from PubChem (CID 17422099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).