3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C15H17N3O5S — CID 151618379

IUPAC3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCS(=O)(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O5S/c16-6-7-24(22,23)12-3-1-2-9-10(12)8-18(15(9)21)11-4-5-13(19)17-14(11)20/h1-3,11H,4-8,16H2,(H,17,19,20)
InChIKeyQNZNMACMRWNMEI-UHFFFAOYSA-N
MW351.38 g/mol
LogP-0.82
Rot. Bonds4

About 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 151618379) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID151618379
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCS(=O)(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O5S/c16-6-7-24(22,23)12-3-1-2-9-10(12)8-18(15(9)21)11-4-5-13(19)17-14(11)20/h1-3,11H,4-8,16H2,(H,17,19,20)
InChIKeyQNZNMACMRWNMEI-UHFFFAOYSA-N
XLogP-0.82
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(7-aminoheptylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150329418
3-[7-(aminomethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 69327564
9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]nonanoic acid
CID 152570559
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]ethyl 4-methylbenzenesulfonate
CID 151394845
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]propyl 4-methylbenzenesulfonate
CID 150838314
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
methyl [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methanesulfonate
CID 175543319
3-[7-[2-[3-(2-aminoethoxy)propoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170396362
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-(3-aminoprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 155292346
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701920

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 151618379) is 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCCS(=O)(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QNZNMACMRWNMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c16-6-7-24(22,23)12-3-1-2-9-10(12)8-18(15(9)21)11-4-5-13(19)17-14(11)20/h1-3,11H,4-8,16H2,(H,17,19,20).
What are the key properties of 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 351.38 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 151618379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).