3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one

C17H24N2O4S — CID 19258890

IUPAC3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H24N2O4S/c1-13(2)11-17(20)19-6-5-14-12-15(3-4-16(14)19)24(21,22)18-7-9-23-10-8-18/h3-4,12-13H,5-11H2,1-2H3
InChIKeyCCMCSEKSHGGWSD-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.64
Rot. Bonds4

About 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one

3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 19258890) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID19258890
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H24N2O4S/c1-13(2)11-17(20)19-6-5-14-12-15(3-4-16(14)19)24(21,22)18-7-9-23-10-8-18/h3-4,12-13H,5-11H2,1-2H3
InChIKeyCCMCSEKSHGGWSD-UHFFFAOYSA-N
XLogP1.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258917
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
CID 41249274
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
(E)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19258980
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53005009

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one (CID 19258890) is 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one is CC(C)CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is CCMCSEKSHGGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13(2)11-17(20)19-6-5-14-12-15(3-4-16(14)19)24(21,22)18-7-9-23-10-8-18/h3-4,12-13H,5-11H2,1-2H3.
What are the key properties of 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 352.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 19258890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).