1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole

C14H21NO3S — CID 176666425

IUPAC1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
SMILESCOCCS(=O)(=O)N1CCc2ccc(C(C)C)cc21
InChIInChI=1S/C14H21NO3S/c1-11(2)13-5-4-12-6-7-15(14(12)10-13)19(16,17)9-8-18-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRTBJQKBABOIAGB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.15
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole

1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole (PubChem CID 176666425) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
PubChem CID176666425
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
SMILESCOCCS(=O)(=O)N1CCc2ccc(C(C)C)cc21
InChIInChI=1S/C14H21NO3S/c1-11(2)13-5-4-12-6-7-15(14(12)10-13)19(16,17)9-8-18-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRTBJQKBABOIAGB-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylsulfonyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110307849
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110613103
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
1-(2-phenylethylsulfonyl)-2,3-dihydroindol-6-amine
CID 28707123
1-(2-phenoxyethylsulfonyl)-2,3-dihydroindole
CID 56764845
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole (CID 176666425) is 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole is COCCS(=O)(=O)N1CCc2ccc(C(C)C)cc21.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole?
The InChIKey is RTBJQKBABOIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)13-5-4-12-6-7-15(14(12)10-13)19(16,17)9-8-18-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole?
1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole has a molecular weight of 283.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 176666425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).