7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole

C10H13NO2S — CID 115103899

IUPAC7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)Cc1cccc2c1NCC2
InChIInChI=1S/C10H13NO2S/c1-14(12,13)7-9-4-2-3-8-5-6-11-10(8)9/h2-4,11H,5-7H2,1H3
InChIKeyGHQURSYELIRFKP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.20
Rot. Bonds2

About 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole

7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole (PubChem CID 115103899) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
PubChem CID115103899
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)Cc1cccc2c1NCC2
InChIInChI=1S/C10H13NO2S/c1-14(12,13)7-9-4-2-3-8-5-6-11-10(8)9/h2-4,11H,5-7H2,1H3
InChIKeyGHQURSYELIRFKP-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
7-[(3-methylsulfonylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 120858029
N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
CID 80649324
4-(methylsulfonylmethyl)-2,3-dihydro-1H-isoindole
CID 115104525
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
CID 120855200
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868

Frequently Asked Questions

What is the IUPAC name of 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole (CID 115103899) is 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole is CS(=O)(=O)Cc1cccc2c1NCC2.
What is the InChIKey of 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is GHQURSYELIRFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)7-9-4-2-3-8-5-6-11-10(8)9/h2-4,11H,5-7H2,1H3.
What are the key properties of 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 211.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115103899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).