2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione

C16H20N2O4S — CID 16811271

IUPAC2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
SMILESCC1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C16H20N2O4S/c1-12-5-4-8-17(11-12)23(21,22)10-9-18-15(19)13-6-2-3-7-14(13)16(18)20/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyDAKCRTPYNWVWGL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.34
Rot. Bonds4

About 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione

2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione (PubChem CID 16811271) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
PubChem CID16811271
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
SMILESCC1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C16H20N2O4S/c1-12-5-4-8-17(11-12)23(21,22)10-9-18-15(19)13-6-2-3-7-14(13)16(18)20/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyDAKCRTPYNWVWGL-UHFFFAOYSA-N
XLogP1.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.34
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

2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
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
CID 120710927
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
CID 97307678
2-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)propyl]isoindole-1,3-dione;hydrochloride
CID 120711835
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037
1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
CID 110678594
1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole
CID 41421069
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
2-[3-[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 124868908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione (CID 16811271) is 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione is CC1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione?
The InChIKey is DAKCRTPYNWVWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-5-4-8-17(11-12)23(21,22)10-9-18-15(19)13-6-2-3-7-14(13)16(18)20/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione?
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione has a molecular weight of 336.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione is sourced from PubChem (CID 16811271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).