3-(1-phenylethylsulfanyl)-1H-indole

C16H15NS — CID 43949396

IUPAC3-(1-phenylethylsulfanyl)-1H-indole
SMILESCC(Sc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15NS/c1-12(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-12,17H,1H3
InChIKeyPVUXSWNQEKBADP-UHFFFAOYSA-N
MW253.37 g/mol
LogP5.02
Rot. Bonds3

About 3-(1-phenylethylsulfanyl)-1H-indole

3-(1-phenylethylsulfanyl)-1H-indole (PubChem CID 43949396) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(1-phenylethylsulfanyl)-1H-indole.

Molecular Properties

Compound Name3-(1-phenylethylsulfanyl)-1H-indole
PubChem CID43949396
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name3-(1-phenylethylsulfanyl)-1H-indole
SMILESCC(Sc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15NS/c1-12(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-12,17H,1H3
InChIKeyPVUXSWNQEKBADP-UHFFFAOYSA-N
XLogP5.02
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxysulfanyl-1H-indole
CID 141186328
3-[4-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 135623263
2-(1H-indol-3-ylsulfanyl)butanedioic acid
CID 11837363
3-propan-2-yl-1H-indole
CID 12534824
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
3-[(4-methylphenyl)methylsulfanyl]-1H-indole
CID 43949394
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
CID 71677022
S-(1H-indol-3-yl) carbamothioate
CID 118129188
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylsulfanyl)-1H-indole?
The IUPAC name of 3-(1-phenylethylsulfanyl)-1H-indole (CID 43949396) is 3-(1-phenylethylsulfanyl)-1H-indole.
What is the SMILES notation for 3-(1-phenylethylsulfanyl)-1H-indole?
The canonical SMILES for 3-(1-phenylethylsulfanyl)-1H-indole is CC(Sc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylsulfanyl)-1H-indole?
The InChIKey is PVUXSWNQEKBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-12(13-7-3-2-4-8-13)18-16-11-17-15-10-6-5-9-14(15)16/h2-12,17H,1H3.
What are the key properties of 3-(1-phenylethylsulfanyl)-1H-indole?
3-(1-phenylethylsulfanyl)-1H-indole has a molecular weight of 253.37 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylsulfanyl)-1H-indole is sourced from PubChem (CID 43949396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).