3-benzyl-2-ethylsulfanyl-1H-indole

C17H17NS — CID 11414484

IUPAC3-benzyl-2-ethylsulfanyl-1H-indole
SMILESCCSc1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C17H17NS/c1-2-19-17-15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18-17/h3-11,18H,2,12H2,1H3
InChIKeyXKDZSEWQTZREDU-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.87
Rot. Bonds4

About 3-benzyl-2-ethylsulfanyl-1H-indole

3-benzyl-2-ethylsulfanyl-1H-indole (PubChem CID 11414484) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-benzyl-2-ethylsulfanyl-1H-indole.

Molecular Properties

Compound Name3-benzyl-2-ethylsulfanyl-1H-indole
PubChem CID11414484
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name3-benzyl-2-ethylsulfanyl-1H-indole
SMILESCCSc1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C17H17NS/c1-2-19-17-15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18-17/h3-11,18H,2,12H2,1H3
InChIKeyXKDZSEWQTZREDU-UHFFFAOYSA-N
XLogP4.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-ethyl-1H-indole
CID 13115106
2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
CID 10890785
3-benzyl-2-chloro-1H-indole
CID 12605517
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-ethylsulfanyl-1H-indole
CID 11781709
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
3-benzyl-1H-indole-2-carboxamide
CID 70180298
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
ethyl 2-(benzhydrylideneamino)-3-(2-ethylsulfanyl-1H-indol-3-yl)propanoate
CID 10837529
4-benzyl-5-ethylsulfanyldithiole-3-thione
CID 10891400

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-ethylsulfanyl-1H-indole?
The IUPAC name of 3-benzyl-2-ethylsulfanyl-1H-indole (CID 11414484) is 3-benzyl-2-ethylsulfanyl-1H-indole.
What is the SMILES notation for 3-benzyl-2-ethylsulfanyl-1H-indole?
The canonical SMILES for 3-benzyl-2-ethylsulfanyl-1H-indole is CCSc1[nH]c2ccccc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-ethylsulfanyl-1H-indole?
The InChIKey is XKDZSEWQTZREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-2-19-17-15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18-17/h3-11,18H,2,12H2,1H3.
What are the key properties of 3-benzyl-2-ethylsulfanyl-1H-indole?
3-benzyl-2-ethylsulfanyl-1H-indole has a molecular weight of 267.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-ethylsulfanyl-1H-indole is sourced from PubChem (CID 11414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).