(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one

C12H15NO3S — CID 125478862

IUPAC(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
SMILESCN1C(=O)[C@@](C)(CS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C12H15NO3S/c1-12(8-17(3,15)16)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m0/s1
InChIKeyKVQVDYHMPAIBOI-LBPRGKRZSA-N
MW253.32 g/mol
LogP0.97
Rot. Bonds2

About (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one

(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one (PubChem CID 125478862) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
PubChem CID125478862
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
SMILESCN1C(=O)[C@@](C)(CS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C12H15NO3S/c1-12(8-17(3,15)16)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m0/s1
InChIKeyKVQVDYHMPAIBOI-LBPRGKRZSA-N
XLogP0.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
1-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]-N-morpholin-4-ylmethanesulfonamide
CID 135032584
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one?
The IUPAC name of (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one (CID 125478862) is (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one.
What is the SMILES notation for (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one?
The canonical SMILES for (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one is CN1C(=O)[C@@](C)(CS(C)(=O)=O)c2ccccc21.
What is the InChIKey of (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one?
The InChIKey is KVQVDYHMPAIBOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-12(8-17(3,15)16)9-6-4-5-7-10(9)13(2)11(12)14/h4-7H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one?
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one has a molecular weight of 253.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one is sourced from PubChem (CID 125478862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).