1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C13H17N3O3S — CID 65244298

IUPAC1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CC(N)C3)cc21
InChIInChI=1S/C13H17N3O3S/c1-9(17)16-5-4-10-2-3-12(6-13(10)16)20(18,19)15-7-11(14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyRGDSHTQWLSVEEZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.07
Rot. Bonds2

About 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 65244298) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID65244298
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CC(N)C3)cc21
InChIInChI=1S/C13H17N3O3S/c1-9(17)16-5-4-10-2-3-12(6-13(10)16)20(18,19)15-7-11(14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyRGDSHTQWLSVEEZ-UHFFFAOYSA-N
XLogP-0.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119977913
1-[6-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120582987
1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119975059
1-[6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119987858
1-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 56691434
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120777741
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
1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 75494749
1-[5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 120779993
1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119981862

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 65244298) is 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(N)C3)cc21.
What is the InChIKey of 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RGDSHTQWLSVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(17)16-5-4-10-2-3-12(6-13(10)16)20(18,19)15-7-11(14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 295.36 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 65244298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).