1-(2-tert-butylsulfonylethyl)-4-methoxyindole

C15H21NO3S — CID 106731603

IUPAC1-(2-tert-butylsulfonylethyl)-4-methoxyindole
SMILESCOc1cccc2c1ccn2CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H21NO3S/c1-15(2,3)20(17,18)11-10-16-9-8-12-13(16)6-5-7-14(12)19-4/h5-9H,10-11H2,1-4H3
InChIKeyXXWZVFYPJPQZOZ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-4-methoxyindole

1-(2-tert-butylsulfonylethyl)-4-methoxyindole (PubChem CID 106731603) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-4-methoxyindole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-4-methoxyindole
PubChem CID106731603
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2-tert-butylsulfonylethyl)-4-methoxyindole
SMILESCOc1cccc2c1ccn2CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H21NO3S/c1-15(2,3)20(17,18)11-10-16-9-8-12-13(16)6-5-7-14(12)19-4/h5-9H,10-11H2,1-4H3
InChIKeyXXWZVFYPJPQZOZ-UHFFFAOYSA-N
XLogP2.86
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-methoxyindole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-methoxyindole (CID 106731603) is 1-(2-tert-butylsulfonylethyl)-4-methoxyindole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-4-methoxyindole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-4-methoxyindole is COc1cccc2c1ccn2CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-4-methoxyindole?
The InChIKey is XXWZVFYPJPQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(2,3)20(17,18)11-10-16-9-8-12-13(16)6-5-7-14(12)19-4/h5-9H,10-11H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-4-methoxyindole?
1-(2-tert-butylsulfonylethyl)-4-methoxyindole has a molecular weight of 295.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-4-methoxyindole is sourced from PubChem (CID 106731603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).