1-(ethoxymethyl)-4-methylsulfanylindol-6-amine

C12H16N2OS — CID 65369299

IUPAC1-(ethoxymethyl)-4-methylsulfanylindol-6-amine
SMILESCCOCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C12H16N2OS/c1-3-15-8-14-5-4-10-11(14)6-9(13)7-12(10)16-2/h4-7H,3,8,13H2,1-2H3
InChIKeySPTNNFWLPNGBRB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.94
Rot. Bonds4

About 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine

1-(ethoxymethyl)-4-methylsulfanylindol-6-amine (PubChem CID 65369299) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-methylsulfanylindol-6-amine
PubChem CID65369299
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(ethoxymethyl)-4-methylsulfanylindol-6-amine
SMILESCCOCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C12H16N2OS/c1-3-15-8-14-5-4-10-11(14)6-9(13)7-12(10)16-2/h4-7H,3,8,13H2,1-2H3
InChIKeySPTNNFWLPNGBRB-UHFFFAOYSA-N
XLogP2.94
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(ethoxymethyl)-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine (CID 65369299) is 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine is CCOCn1ccc2c(SC)cc(N)cc21.
What is the InChIKey of 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine?
The InChIKey is SPTNNFWLPNGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-15-8-14-5-4-10-11(14)6-9(13)7-12(10)16-2/h4-7H,3,8,13H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine?
1-(ethoxymethyl)-4-methylsulfanylindol-6-amine has a molecular weight of 236.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 65369299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).