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

C16H22N2O4S — CID 110727870

IUPAC1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCOC(C)C3C)ccc21
InChIInChI=1S/C16H22N2O4S/c1-11-12(2)22-9-8-18(11)23(20,21)15-4-5-16-14(10-15)6-7-17(16)13(3)19/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRSJCXKFGGRVLQW-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.39
Rot. Bonds2

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

1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110727870) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID110727870
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCOC(C)C3C)ccc21
InChIInChI=1S/C16H22N2O4S/c1-11-12(2)22-9-8-18(11)23(20,21)15-4-5-16-14(10-15)6-7-17(16)13(3)19/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRSJCXKFGGRVLQW-UHFFFAOYSA-N
XLogP1.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119981862
1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 48629717
1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119990877
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
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-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 110727870) is 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCOC(C)C3C)ccc21.
What is the InChIKey of 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RSJCXKFGGRVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11-12(2)22-9-8-18(11)23(20,21)15-4-5-16-14(10-15)6-7-17(16)13(3)19/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 338.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110727870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).