2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine

C11H15NS2 — CID 79221485

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CSc2ccccc21
InChIInChI=1S/C11H15NS2/c12-5-6-13-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,12H2
InChIKeyFQJDLATVLMYGBO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine

2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine (PubChem CID 79221485) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
PubChem CID79221485
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CSc2ccccc21
InChIInChI=1S/C11H15NS2/c12-5-6-13-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,12H2
InChIKeyFQJDLATVLMYGBO-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)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

2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-N,N-diethylethanamine
CID 79326328
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)propan-1-amine
CID 79220881
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanylmethyl)furan
CID 79326319
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
CID 63772452
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-[3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 79220798
3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-2-methylaniline
CID 79221647
(2R)-2-acetamido-3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)propanoic acid
CID 107774776
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-1H-imidazole
CID 107781410
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
CID 79221501
(2S)-2-amino-3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-3-methylbutanoic acid
CID 114189309
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)phenyl]ethanone
CID 79226538

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine (CID 79221485) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine is NCCSCC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine?
The InChIKey is FQJDLATVLMYGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c12-5-6-13-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,12H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 79221485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).