1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one

C22H33N3O4S — CID 22582612

IUPAC1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(CCN4CCOCC4)CC3)ccc21
InChIInChI=1S/C22H33N3O4S/c1-22(2)19-16-18(4-5-20(19)23(3)21(22)26)30(27,28)25-10-7-17(8-11-25)6-9-24-12-14-29-15-13-24/h4-5,16-17H,6-15H2,1-3H3
InChIKeyGAPJSWQJVVMEGL-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.06
Rot. Bonds5

About 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one

1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one (PubChem CID 22582612) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
PubChem CID22582612
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(CCN4CCOCC4)CC3)ccc21
InChIInChI=1S/C22H33N3O4S/c1-22(2)19-16-18(4-5-20(19)23(3)21(22)26)30(27,28)25-10-7-17(8-11-25)6-9-24-12-14-29-15-13-24/h4-5,16-17H,6-15H2,1-3H3
InChIKeyGAPJSWQJVVMEGL-UHFFFAOYSA-N
XLogP2.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
CID 92692890
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
5-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3,3-trimethylindol-2-one
CID 92692889
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
CID 58962640
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one (CID 22582612) is 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(CCN4CCOCC4)CC3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one?
The InChIKey is GAPJSWQJVVMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-22(2)19-16-18(4-5-20(19)23(3)21(22)26)30(27,28)25-10-7-17(8-11-25)6-9-24-12-14-29-15-13-24/h4-5,16-17H,6-15H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one?
1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one has a molecular weight of 435.59 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one is sourced from PubChem (CID 22582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).