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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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).