(1S)-1-thiophen-2-ylethanamine

C6H9NS — CID 6546851

IUPAC(1S)-1-thiophen-2-ylethanamine
SMILESC[C@H](N)c1cccs1
InChIInChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyLYJBVRVJQXVVPI-YFKPBYRVSA-N
MW127.21 g/mol
LogP1.77
Rot. Bonds1

About (1S)-1-thiophen-2-ylethanamine

(1S)-1-thiophen-2-ylethanamine (PubChem CID 6546851) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (1S)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-thiophen-2-ylethanamine
PubChem CID6546851
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(1S)-1-thiophen-2-ylethanamine
SMILESC[C@H](N)c1cccs1
InChIInChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyLYJBVRVJQXVVPI-YFKPBYRVSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-thiophen-2-ylethanamine 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 (1S)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-1-thiophen-2-ylethanamine (CID 6546851) is (1S)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-1-thiophen-2-ylethanamine is C[C@H](N)c1cccs1.
What is the InChIKey of (1S)-1-thiophen-2-ylethanamine?
The InChIKey is LYJBVRVJQXVVPI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-thiophen-2-ylethanamine?
(1S)-1-thiophen-2-ylethanamine has a molecular weight of 127.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 6546851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).