2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione

C19H26N2O5S — CID 124888601

IUPAC2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione
SMILESCC[C@@H]1CCCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O5S/c1-2-15-7-5-6-10-21(15)27(24,25)14-13-26-12-11-20-18(22)16-8-3-4-9-17(16)19(20)23/h3-4,8-9,15H,2,5-7,10-14H2,1H3/t15-/m1/s1
InChIKeyRYTUEQXFFVUFAS-OAHLLOKOSA-N
MW394.49 g/mol
LogP1.89
Rot. Bonds8

About 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione

2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione (PubChem CID 124888601) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione
PubChem CID124888601
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione
SMILESCC[C@@H]1CCCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O5S/c1-2-15-7-5-6-10-21(15)27(24,25)14-13-26-12-11-20-18(22)16-8-3-4-9-17(16)19(20)23/h3-4,8-9,15H,2,5-7,10-14H2,1H3/t15-/m1/s1
InChIKeyRYTUEQXFFVUFAS-OAHLLOKOSA-N
XLogP1.89
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122068613
2-(1,3-dioxoisoindol-2-yl)ethyl (2R)-1-propylsulfonylpyrrolidine-2-carboxylate
CID 27138899
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)ethyl]isoindole-1,3-dione
CID 110312722
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
CID 108889482
N-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7600931
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
3-[3-(1,3-dioxoisoindol-2-yl)propoxy]propane-1-sulfonyl chloride
CID 146599056
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione (CID 124888601) is 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione is CC[C@@H]1CCCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione?
The InChIKey is RYTUEQXFFVUFAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-2-15-7-5-6-10-21(15)27(24,25)14-13-26-12-11-20-18(22)16-8-3-4-9-17(16)19(20)23/h3-4,8-9,15H,2,5-7,10-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione?
2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione has a molecular weight of 394.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 124888601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).