3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole

C14H19NO2S — CID 156566204

IUPAC3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]cc(CCS(C)(=O)=O)c2c1
InChIInChI=1S/C14H19NO2S/c1-10(2)11-4-5-14-13(8-11)12(9-15-14)6-7-18(3,16)17/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyPWHJMRCHAHMWMZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole

3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole (PubChem CID 156566204) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole
PubChem CID156566204
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]cc(CCS(C)(=O)=O)c2c1
InChIInChI=1S/C14H19NO2S/c1-10(2)11-4-5-14-13(8-11)12(9-15-14)6-7-18(3,16)17/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyPWHJMRCHAHMWMZ-UHFFFAOYSA-N
XLogP2.88
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole?
The IUPAC name of 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole (CID 156566204) is 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole?
The canonical SMILES for 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole is CC(C)c1ccc2[nH]cc(CCS(C)(=O)=O)c2c1.
What is the InChIKey of 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole?
The InChIKey is PWHJMRCHAHMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)11-4-5-14-13(8-11)12(9-15-14)6-7-18(3,16)17/h4-5,8-10,15H,6-7H2,1-3H3.
What are the key properties of 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole?
3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole has a molecular weight of 265.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole is sourced from PubChem (CID 156566204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).