1-ethyl-2-(methylsulfonylmethyl)indol-5-ol

C12H15NO3S — CID 117177179

IUPAC1-ethyl-2-(methylsulfonylmethyl)indol-5-ol
SMILESCCn1c(CS(C)(=O)=O)cc2cc(O)ccc21
InChIInChI=1S/C12H15NO3S/c1-3-13-10(8-17(2,15)16)6-9-7-11(14)4-5-12(9)13/h4-7,14H,3,8H2,1-2H3
InChIKeyUKOHAYGZCFNKGH-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.91
Rot. Bonds3

About 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol

1-ethyl-2-(methylsulfonylmethyl)indol-5-ol (PubChem CID 117177179) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol.

Molecular Properties

Compound Name1-ethyl-2-(methylsulfonylmethyl)indol-5-ol
PubChem CID117177179
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-ethyl-2-(methylsulfonylmethyl)indol-5-ol
SMILESCCn1c(CS(C)(=O)=O)cc2cc(O)ccc21
InChIInChI=1S/C12H15NO3S/c1-3-13-10(8-17(2,15)16)6-9-7-11(14)4-5-12(9)13/h4-7,14H,3,8H2,1-2H3
InChIKeyUKOHAYGZCFNKGH-UHFFFAOYSA-N
XLogP1.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-(methoxymethyl)indol-5-ol
CID 117177336
1-ethyl-2-(methylsulfonylmethyl)indole-6-carboxylic acid
CID 117180892
2-(2-aminopropan-2-yl)-1-ethylindol-5-ol
CID 117121687
1-ethyl-2-methylindol-5-ol
CID 115014527
1-ethyl-2-(ethylsulfonylmethyl)indole-5-carboxylic acid
CID 117177444
2-(4-aminophenyl)-1-ethylindol-5-ol
CID 143184820
[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
CID 117177027
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
1-ethyl-2-(methylsulfonylmethyl)indol-4-amine
CID 117173779
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
4-chloro-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173788
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol?
The IUPAC name of 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol (CID 117177179) is 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol.
What is the SMILES notation for 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol?
The canonical SMILES for 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol is CCn1c(CS(C)(=O)=O)cc2cc(O)ccc21.
What is the InChIKey of 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol?
The InChIKey is UKOHAYGZCFNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-13-10(8-17(2,15)16)6-9-7-11(14)4-5-12(9)13/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol?
1-ethyl-2-(methylsulfonylmethyl)indol-5-ol has a molecular weight of 253.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(methylsulfonylmethyl)indol-5-ol is sourced from PubChem (CID 117177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).