1-(2-phenylsulfanylethyl)indol-5-amine

C16H16N2S — CID 79222647

IUPAC1-(2-phenylsulfanylethyl)indol-5-amine
SMILESNc1ccc2c(ccn2CCSc2ccccc2)c1
InChIInChI=1S/C16H16N2S/c17-14-6-7-16-13(12-14)8-9-18(16)10-11-19-15-4-2-1-3-5-15/h1-9,12H,10-11,17H2
InChIKeyCPVWQYNEGGNCPA-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-phenylsulfanylethyl)indol-5-amine

1-(2-phenylsulfanylethyl)indol-5-amine (PubChem CID 79222647) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)indol-5-amine.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)indol-5-amine
PubChem CID79222647
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(2-phenylsulfanylethyl)indol-5-amine
SMILESNc1ccc2c(ccn2CCSc2ccccc2)c1
InChIInChI=1S/C16H16N2S/c17-14-6-7-16-13(12-14)8-9-18(16)10-11-19-15-4-2-1-3-5-15/h1-9,12H,10-11,17H2
InChIKeyCPVWQYNEGGNCPA-UHFFFAOYSA-N
XLogP4.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)indol-5-amine?
The IUPAC name of 1-(2-phenylsulfanylethyl)indol-5-amine (CID 79222647) is 1-(2-phenylsulfanylethyl)indol-5-amine.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)indol-5-amine?
The canonical SMILES for 1-(2-phenylsulfanylethyl)indol-5-amine is Nc1ccc2c(ccn2CCSc2ccccc2)c1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)indol-5-amine?
The InChIKey is CPVWQYNEGGNCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c17-14-6-7-16-13(12-14)8-9-18(16)10-11-19-15-4-2-1-3-5-15/h1-9,12H,10-11,17H2.
What are the key properties of 1-(2-phenylsulfanylethyl)indol-5-amine?
1-(2-phenylsulfanylethyl)indol-5-amine has a molecular weight of 268.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)indol-5-amine is sourced from PubChem (CID 79222647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).