(1R)-1-(1-benzothiophen-5-yl)ethanamine

C10H11NS — CID 131094683

IUPAC(1R)-1-(1-benzothiophen-5-yl)ethanamine
SMILESC[C@@H](N)c1ccc2sccc2c1
InChIInChI=1S/C10H11NS/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7H,11H2,1H3/t7-/m1/s1
InChIKeyVEVFSVFAKHUMQC-SSDOTTSWSA-N
MW177.27 g/mol
LogP2.92
Rot. Bonds1

About (1R)-1-(1-benzothiophen-5-yl)ethanamine

(1R)-1-(1-benzothiophen-5-yl)ethanamine (PubChem CID 131094683) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (1R)-1-(1-benzothiophen-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-benzothiophen-5-yl)ethanamine
PubChem CID131094683
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(1R)-1-(1-benzothiophen-5-yl)ethanamine
SMILESC[C@@H](N)c1ccc2sccc2c1
InChIInChI=1S/C10H11NS/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7H,11H2,1H3/t7-/m1/s1
InChIKeyVEVFSVFAKHUMQC-SSDOTTSWSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
CID 130635680
dimethyl 2-(1-benzothiophen-5-yl)propanedioate
CID 166823903
1-(1-benzothiophen-5-yl)-1-chloro-N-methylpropan-2-amine
CID 168763965
1-benzothiophene;propan-2-amine
CID 67916286
(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine
CID 155936660
1-(1-benzothiophen-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820018
1-naphthalen-2-ylethanamine
CID 3857145
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
CID 114419361
1-(1-benzothiophen-5-yl)but-3-en-1-ol
CID 130892568
2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide
CID 142653428
5-bromo-1-benzothiophene
CID 2776578
5-propan-2-yl-1-benzothiophen-7-amine
CID 138632945

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzothiophen-5-yl)ethanamine?
The IUPAC name of (1R)-1-(1-benzothiophen-5-yl)ethanamine (CID 131094683) is (1R)-1-(1-benzothiophen-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-benzothiophen-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-benzothiophen-5-yl)ethanamine is C[C@@H](N)c1ccc2sccc2c1.
What is the InChIKey of (1R)-1-(1-benzothiophen-5-yl)ethanamine?
The InChIKey is VEVFSVFAKHUMQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NS/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-7H,11H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(1-benzothiophen-5-yl)ethanamine?
(1R)-1-(1-benzothiophen-5-yl)ethanamine has a molecular weight of 177.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzothiophen-5-yl)ethanamine is sourced from PubChem (CID 131094683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).