1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide

C15H21N3O4S — CID 135032584

IUPAC1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide
SMILESCN1C(=O)[C@](C)(CS(=O)(=O)NN2CCOCC2)c2ccccc21
InChIInChI=1S/C15H21N3O4S/c1-15(11-23(20,21)16-18-7-9-22-10-8-18)12-5-3-4-6-13(12)17(2)14(15)19/h3-6,16H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyCVTYOHSPMKNUNE-OAHLLOKOSA-N
MW339.42 g/mol
LogP0.09
Rot. Bonds4

About 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide

1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide (PubChem CID 135032584) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide
PubChem CID135032584
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide
SMILESCN1C(=O)[C@](C)(CS(=O)(=O)NN2CCOCC2)c2ccccc21
InChIInChI=1S/C15H21N3O4S/c1-15(11-23(20,21)16-18-7-9-22-10-8-18)12-5-3-4-6-13(12)17(2)14(15)19/h3-6,16H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyCVTYOHSPMKNUNE-OAHLLOKOSA-N
XLogP0.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
N-morpholin-4-ylpropane-1-sulfonamide
CID 70064239
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide?
The IUPAC name of 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide (CID 135032584) is 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide.
What is the SMILES notation for 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide?
The canonical SMILES for 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide is CN1C(=O)[C@](C)(CS(=O)(=O)NN2CCOCC2)c2ccccc21.
What is the InChIKey of 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide?
The InChIKey is CVTYOHSPMKNUNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(11-23(20,21)16-18-7-9-22-10-8-18)12-5-3-4-6-13(12)17(2)14(15)19/h3-6,16H,7-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide?
1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide is sourced from PubChem (CID 135032584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).