1-(2-tert-butylsulfonylethyl)-5-ethoxyindole

C16H23NO3S — CID 106731679

IUPAC1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C16H23NO3S/c1-5-20-14-6-7-15-13(12-14)8-9-17(15)10-11-21(18,19)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyUZZVQNWDUUGSOT-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole

1-(2-tert-butylsulfonylethyl)-5-ethoxyindole (PubChem CID 106731679) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
PubChem CID106731679
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C16H23NO3S/c1-5-20-14-6-7-15-13(12-14)8-9-17(15)10-11-21(18,19)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyUZZVQNWDUUGSOT-UHFFFAOYSA-N
XLogP3.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole (CID 106731679) is 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole is CCOc1ccc2c(ccn2CCS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole?
The InChIKey is UZZVQNWDUUGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-5-20-14-6-7-15-13(12-14)8-9-17(15)10-11-21(18,19)16(2,3)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole?
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole has a molecular weight of 309.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-5-ethoxyindole is sourced from PubChem (CID 106731679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).