2-(1-methylsulfonylethyl)-1H-indole

C11H13NO2S — CID 173051925

IUPAC2-(1-methylsulfonylethyl)-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)S(C)(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8(15(2,13)14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3
InChIKeyZAVZPKWPZKNLBT-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.27
Rot. Bonds2

About 2-(1-methylsulfonylethyl)-1H-indole

2-(1-methylsulfonylethyl)-1H-indole (PubChem CID 173051925) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1-methylsulfonylethyl)-1H-indole.

Molecular Properties

Compound Name2-(1-methylsulfonylethyl)-1H-indole
PubChem CID173051925
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(1-methylsulfonylethyl)-1H-indole
SMILESCC(c1cc2ccccc2[nH]1)S(C)(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8(15(2,13)14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3
InChIKeyZAVZPKWPZKNLBT-UHFFFAOYSA-N
XLogP2.27
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-methylsulfonylethyl)-1H-indole 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

2-(1H-indol-2-yl)propanal
CID 88965178
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-propan-2-ylsulfonyl-1H-indole
CID 150324916
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
2-[4-(1H-indol-2-yl)-1,4-bis(pentylsulfonyl)butyl]-1H-indole
CID 70502131
2-(1H-indol-2-yl)-3-methylpentanoic acid
CID 146350341
(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
CID 102472553
2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylethyl)-1H-indole?
The IUPAC name of 2-(1-methylsulfonylethyl)-1H-indole (CID 173051925) is 2-(1-methylsulfonylethyl)-1H-indole.
What is the SMILES notation for 2-(1-methylsulfonylethyl)-1H-indole?
The canonical SMILES for 2-(1-methylsulfonylethyl)-1H-indole is CC(c1cc2ccccc2[nH]1)S(C)(=O)=O.
What is the InChIKey of 2-(1-methylsulfonylethyl)-1H-indole?
The InChIKey is ZAVZPKWPZKNLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(15(2,13)14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3.
What are the key properties of 2-(1-methylsulfonylethyl)-1H-indole?
2-(1-methylsulfonylethyl)-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylethyl)-1H-indole is sourced from PubChem (CID 173051925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).