1-ethyl-4-methylsulfanylindol-6-amine

C11H14N2S — CID 126992229

IUPAC1-ethyl-4-methylsulfanylindol-6-amine
SMILESCCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C11H14N2S/c1-3-13-5-4-9-10(13)6-8(12)7-11(9)14-2/h4-7H,3,12H2,1-2H3
InChIKeyWMBZNAWWBDXECL-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.97
Rot. Bonds2

About 1-ethyl-4-methylsulfanylindol-6-amine

1-ethyl-4-methylsulfanylindol-6-amine (PubChem CID 126992229) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylindol-6-amine
PubChem CID126992229
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-ethyl-4-methylsulfanylindol-6-amine
SMILESCCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C11H14N2S/c1-3-13-5-4-9-10(13)6-8(12)7-11(9)14-2/h4-7H,3,12H2,1-2H3
InChIKeyWMBZNAWWBDXECL-UHFFFAOYSA-N
XLogP2.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-ethyl-4-methylsulfanylindol-6-amine (CID 126992229) is 1-ethyl-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-ethyl-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-ethyl-4-methylsulfanylindol-6-amine is CCn1ccc2c(SC)cc(N)cc21.
What is the InChIKey of 1-ethyl-4-methylsulfanylindol-6-amine?
The InChIKey is WMBZNAWWBDXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-13-5-4-9-10(13)6-8(12)7-11(9)14-2/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylindol-6-amine?
1-ethyl-4-methylsulfanylindol-6-amine has a molecular weight of 206.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 126992229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).