1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole

C15H21NO2S — CID 117185731

IUPAC1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2ccc(C)cc21
InChIInChI=1S/C15H21NO2S/c1-5-16-9-13(10-19(17,18)11(2)3)14-7-6-12(4)8-15(14)16/h6-9,11H,5,10H2,1-4H3
InChIKeyZHYXLMOQDXGAGO-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.29
Rot. Bonds4

About 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole

1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117185731) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole
PubChem CID117185731
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1cc(CS(=O)(=O)C(C)C)c2ccc(C)cc21
InChIInChI=1S/C15H21NO2S/c1-5-16-9-13(10-19(17,18)11(2)3)14-7-6-12(4)8-15(14)16/h6-9,11H,5,10H2,1-4H3
InChIKeyZHYXLMOQDXGAGO-UHFFFAOYSA-N
XLogP3.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-3-(propan-2-ylsulfonylmethyl)indol-6-yl]methanamine
CID 117178755
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
CID 117196204
1-(1-ethyl-6-methylindol-3-yl)-N-methylmethanamine
CID 117185713
1-ethyl-3-(methoxymethyl)-6-methylindole
CID 117185769
1-(1-ethyl-6-methylindol-3-yl)-N-methylethanamine
CID 117196201
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
6-methyl-3-(propan-2-ylsulfonylmethyl)-1-benzothiophene
CID 117185600
1-ethyl-3-(propan-2-ylsulfonylmethyl)indole-4-carboxylic acid
CID 117172113
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
CID 117185744
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole (CID 117185731) is 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole is CCn1cc(CS(=O)(=O)C(C)C)c2ccc(C)cc21.
What is the InChIKey of 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is ZHYXLMOQDXGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-5-16-9-13(10-19(17,18)11(2)3)14-7-6-12(4)8-15(14)16/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole?
1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 279.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117185731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).