2-(ethylsulfonylmethyl)-1-methylindol-6-ol

C12H15NO3S — CID 117180113

IUPAC2-(ethylsulfonylmethyl)-1-methylindol-6-ol
SMILESCCS(=O)(=O)Cc1cc2ccc(O)cc2n1C
InChIInChI=1S/C12H15NO3S/c1-3-17(15,16)8-10-6-9-4-5-11(14)7-12(9)13(10)2/h4-7,14H,3,8H2,1-2H3
InChIKeySHPDAGJTZCFBJI-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.82
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1-methylindol-6-ol

2-(ethylsulfonylmethyl)-1-methylindol-6-ol (PubChem CID 117180113) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1-methylindol-6-ol.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1-methylindol-6-ol
PubChem CID117180113
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-(ethylsulfonylmethyl)-1-methylindol-6-ol
SMILESCCS(=O)(=O)Cc1cc2ccc(O)cc2n1C
InChIInChI=1S/C12H15NO3S/c1-3-17(15,16)8-10-6-9-4-5-11(14)7-12(9)13(10)2/h4-7,14H,3,8H2,1-2H3
InChIKeySHPDAGJTZCFBJI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1-methylindol-6-ol?
The IUPAC name of 2-(ethylsulfonylmethyl)-1-methylindol-6-ol (CID 117180113) is 2-(ethylsulfonylmethyl)-1-methylindol-6-ol.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1-methylindol-6-ol?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1-methylindol-6-ol is CCS(=O)(=O)Cc1cc2ccc(O)cc2n1C.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1-methylindol-6-ol?
The InChIKey is SHPDAGJTZCFBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-17(15,16)8-10-6-9-4-5-11(14)7-12(9)13(10)2/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1-methylindol-6-ol?
2-(ethylsulfonylmethyl)-1-methylindol-6-ol has a molecular weight of 253.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1-methylindol-6-ol is sourced from PubChem (CID 117180113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).