2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine

C11H14N2OS — CID 13089119

IUPAC2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
SMILESCOc1ccc2[nH]cc(SCCN)c2c1
InChIInChI=1S/C11H14N2OS/c1-14-8-2-3-10-9(6-8)11(7-13-10)15-5-4-12/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyDGXORTSKCZBZRZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.23
Rot. Bonds4

About 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine

2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine (PubChem CID 13089119) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
PubChem CID13089119
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
SMILESCOc1ccc2[nH]cc(SCCN)c2c1
InChIInChI=1S/C11H14N2OS/c1-14-8-2-3-10-9(6-8)11(7-13-10)15-5-4-12/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyDGXORTSKCZBZRZ-UHFFFAOYSA-N
XLogP2.23
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018370
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine (CID 13089119) is 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine is COc1ccc2[nH]cc(SCCN)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine?
The InChIKey is DGXORTSKCZBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-8-2-3-10-9(6-8)11(7-13-10)15-5-4-12/h2-3,6-7,13H,4-5,12H2,1H3.
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine?
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 13089119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).