5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole

C12H17NO2S — CID 84761078

IUPAC5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-4-10-5-6-12-11(8-10)7-9(2)13(12)16(3,14)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOGRSODRVDDJHIF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds2

About 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole

5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole (PubChem CID 84761078) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
PubChem CID84761078
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-4-10-5-6-12-11(8-10)7-9(2)13(12)16(3,14)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOGRSODRVDDJHIF-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine
CID 82262240
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(4-chlorophenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55382144
2-oxopropyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9063978
(2R)-N,2-dimethyl-N-[(4-methylphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51906979
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 94565333
[2-(dimethylamino)-2-oxoethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9064244
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9211019
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole (CID 84761078) is 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole is CCc1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is OGRSODRVDDJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-10-5-6-12-11(8-10)7-9(2)13(12)16(3,14)15/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole?
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 239.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 84761078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).