(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine

C16H18N2OS — CID 6603733

IUPAC(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
SMILESC[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
InChIInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3/t11-/m0/s1
InChIKeyALFGDCNSEBJYSP-NSHDSACASA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds5

About (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine

(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine (PubChem CID 6603733) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
PubChem CID6603733
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
SMILESC[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
InChIInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3/t11-/m0/s1
InChIKeyALFGDCNSEBJYSP-NSHDSACASA-N
XLogP3.70
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The IUPAC name of (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine (CID 6603733) is (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine is C[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.
What is the InChIKey of (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The InChIKey is ALFGDCNSEBJYSP-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine is sourced from PubChem (CID 6603733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).