3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one

C13H16N2O4S — CID 60664900

IUPAC3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C13H16N2O4S/c1-9-11-8-10(2-3-12(11)14-13(9)16)20(17,18)15-4-6-19-7-5-15/h2-3,8-9H,4-7H2,1H3,(H,14,16)
InChIKeyFBJKLFWUYAASTC-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.76
Rot. Bonds2

About 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one

3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one (PubChem CID 60664900) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
PubChem CID60664900
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C13H16N2O4S/c1-9-11-8-10(2-3-12(11)14-13(9)16)20(17,18)15-4-6-19-7-5-15/h2-3,8-9H,4-7H2,1H3,(H,14,16)
InChIKeyFBJKLFWUYAASTC-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9030892
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186077
(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
(3S)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188882
(3R)-5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188840
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 115312431
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
(2S)-2-(morpholine-4-carbonyl)-6-morpholin-4-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 95085156
(2S)-2-methyl-7-(4-methylsulfonylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 124853473
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one (CID 60664900) is 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one?
The InChIKey is FBJKLFWUYAASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9-11-8-10(2-3-12(11)14-13(9)16)20(17,18)15-4-6-19-7-5-15/h2-3,8-9H,4-7H2,1H3,(H,14,16).
What are the key properties of 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one?
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one has a molecular weight of 296.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 60664900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).