7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole

C16H23NO2S — CID 117186293

IUPAC7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
SMILESCc1cccc2c(CS(=O)(=O)C(C)C)cn(C(C)C)c12
InChIInChI=1S/C16H23NO2S/c1-11(2)17-9-14(10-20(18,19)12(3)4)15-8-6-7-13(5)16(15)17/h6-9,11-12H,10H2,1-5H3
InChIKeyXRAZCIKFVPZQAG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.85
Rot. Bonds4

About 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole

7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117186293) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
PubChem CID117186293
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
SMILESCc1cccc2c(CS(=O)(=O)C(C)C)cn(C(C)C)c12
InChIInChI=1S/C16H23NO2S/c1-11(2)17-9-14(10-20(18,19)12(3)4)15-8-6-7-13(5)16(15)17/h6-9,11-12H,10H2,1-5H3
InChIKeyXRAZCIKFVPZQAG-UHFFFAOYSA-N
XLogP3.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
1-methyl-3-(propan-2-ylsulfonylmethyl)indole-7-carboxylic acid
CID 117182128
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
4-fluoro-1-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117171230
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
[3-(propan-2-ylsulfonylmethyl)-1-benzofuran-7-yl]methanamine
CID 117180942
2-(3-methyl-1-propan-2-ylindol-7-yl)ethanol
CID 117205237

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole (CID 117186293) is 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole is Cc1cccc2c(CS(=O)(=O)C(C)C)cn(C(C)C)c12.
What is the InChIKey of 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is XRAZCIKFVPZQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11(2)17-9-14(10-20(18,19)12(3)4)15-8-6-7-13(5)16(15)17/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole?
7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 293.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117186293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).