2-(ethylsulfonylmethyl)-1-methylindole

C12H15NO2S — CID 117173182

IUPAC2-(ethylsulfonylmethyl)-1-methylindole
SMILESCCS(=O)(=O)Cc1cc2ccccc2n1C
InChIInChI=1S/C12H15NO2S/c1-3-16(14,15)9-11-8-10-6-4-5-7-12(10)13(11)2/h4-8H,3,9H2,1-2H3
InChIKeyCNFRDNWCTJSANT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.11
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1-methylindole

2-(ethylsulfonylmethyl)-1-methylindole (PubChem CID 117173182) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1-methylindole.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1-methylindole
PubChem CID117173182
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(ethylsulfonylmethyl)-1-methylindole
SMILESCCS(=O)(=O)Cc1cc2ccccc2n1C
InChIInChI=1S/C12H15NO2S/c1-3-16(14,15)9-11-8-10-6-4-5-7-12(10)13(11)2/h4-8H,3,9H2,1-2H3
InChIKeyCNFRDNWCTJSANT-UHFFFAOYSA-N
XLogP2.11
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylsulfonylmethyl)-1-methylindole
CID 117176679
2-(ethylsulfonylmethyl)-1-methylindol-6-ol
CID 117180113
1-methyl-2-propylindole
CID 13170349
2-(ethylsulfonylmethyl)-1-methylindole-6-carboxylic acid
CID 117180395
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-(ethylsulfonylmethyl)-1-methylindol-4-amine
CID 117173185
2-(bromomethyl)-1-methylindole
CID 58970525
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
1-(1-methylindol-2-yl)butan-2-amine
CID 131504320
N-methyl-2-(1-methylindol-2-yl)acetamide
CID 139935396
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
CID 102141754

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1-methylindole?
The IUPAC name of 2-(ethylsulfonylmethyl)-1-methylindole (CID 117173182) is 2-(ethylsulfonylmethyl)-1-methylindole.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1-methylindole?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1-methylindole is CCS(=O)(=O)Cc1cc2ccccc2n1C.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1-methylindole?
The InChIKey is CNFRDNWCTJSANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-16(14,15)9-11-8-10-6-4-5-7-12(10)13(11)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1-methylindole?
2-(ethylsulfonylmethyl)-1-methylindole has a molecular weight of 237.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1-methylindole is sourced from PubChem (CID 117173182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).