1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C17H24N2O4S — CID 48629717

IUPAC1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CC(C)OC(C)(C)C3)ccc21
InChIInChI=1S/C17H24N2O4S/c1-12-10-18(11-17(3,4)23-12)24(21,22)15-5-6-16-14(9-15)7-8-19(16)13(2)20/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyUIDQOROWPCJAAE-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.78
Rot. Bonds2

About 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 48629717) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID48629717
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CC(C)OC(C)(C)C3)ccc21
InChIInChI=1S/C17H24N2O4S/c1-12-10-18(11-17(3,4)23-12)24(21,22)15-5-6-16-14(9-15)7-8-19(16)13(2)20/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyUIDQOROWPCJAAE-UHFFFAOYSA-N
XLogP1.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48639256
1-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119989182
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110727870
1-[5-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110657750
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
1-[5-(2,7-diazaspiro[4.4]nonan-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 82038003

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 48629717) is 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CC(C)OC(C)(C)C3)ccc21.
What is the InChIKey of 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is UIDQOROWPCJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-10-18(11-17(3,4)23-12)24(21,22)15-5-6-16-14(9-15)7-8-19(16)13(2)20/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 48629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).