5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

C20H28N2O5S — CID 126457259

IUPAC5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O
InChIInChI=1S/C20H28N2O5S/c1-2-16-6-3-4-12-22(16)28(26,27)17-9-10-18-15(14-17)11-13-21(18)19(23)7-5-8-20(24)25/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,25)
InChIKeyGKUPURJTHIEMHQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.78
Rot. Bonds7

About 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (PubChem CID 126457259) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
PubChem CID126457259
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O
InChIInChI=1S/C20H28N2O5S/c1-2-16-6-3-4-12-22(16)28(26,27)17-9-10-18-15(14-17)11-13-21(18)19(23)7-5-8-20(24)25/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,25)
InChIKeyGKUPURJTHIEMHQ-UHFFFAOYSA-N
XLogP2.78
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid with MolForge

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Related Compounds

1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303
1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119990877
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55759883
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (CID 126457259) is 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is CCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O.
What is the InChIKey of 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The InChIKey is GKUPURJTHIEMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-2-16-6-3-4-12-22(16)28(26,27)17-9-10-18-15(14-17)11-13-21(18)19(23)7-5-8-20(24)25/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,25).
What are the key properties of 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid has a molecular weight of 408.52 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 126457259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).