2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine

C16H22N2OS — CID 83976595

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
SMILESCOc1ccc2[nH]cc(C(CN)C3CCSCC3)c2c1
InChIInChI=1S/C16H22N2OS/c1-19-12-2-3-16-13(8-12)15(10-18-16)14(9-17)11-4-6-20-7-5-11/h2-3,8,10-11,14,18H,4-7,9,17H2,1H3
InChIKeyVBUABTZDCCTPQE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.36
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine

2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine (PubChem CID 83976595) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
PubChem CID83976595
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
SMILESCOc1ccc2[nH]cc(C(CN)C3CCSCC3)c2c1
InChIInChI=1S/C16H22N2OS/c1-19-12-2-3-16-13(8-12)15(10-18-16)14(9-17)11-4-6-20-7-5-11/h2-3,8,10-11,14,18H,4-7,9,17H2,1H3
InChIKeyVBUABTZDCCTPQE-UHFFFAOYSA-N
XLogP3.36
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
2-(furan-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 82088975
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine (CID 83976595) is 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine is COc1ccc2[nH]cc(C(CN)C3CCSCC3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is VBUABTZDCCTPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-19-12-2-3-16-13(8-12)15(10-18-16)14(9-17)11-4-6-20-7-5-11/h2-3,8,10-11,14,18H,4-7,9,17H2,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine?
2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.36, 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)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 83976595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).