1-thiophen-3-ylbutan-2-amine

C8H13NS — CID 43566008

IUPAC1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)Cc1ccsc1
InChIInChI=1S/C8H13NS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8H,2,5,9H2,1H3
InChIKeyXLIAWYIWQAPSMD-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.03
Rot. Bonds3

About 1-thiophen-3-ylbutan-2-amine

1-thiophen-3-ylbutan-2-amine (PubChem CID 43566008) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-ylbutan-2-amine
PubChem CID43566008
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)Cc1ccsc1
InChIInChI=1S/C8H13NS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8H,2,5,9H2,1H3
InChIKeyXLIAWYIWQAPSMD-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-thiophen-3-ylbutan-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 1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-thiophen-3-ylbutan-2-amine (CID 43566008) is 1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-thiophen-3-ylbutan-2-amine is CCC(N)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylbutan-2-amine?
The InChIKey is XLIAWYIWQAPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8H,2,5,9H2,1H3.
What are the key properties of 1-thiophen-3-ylbutan-2-amine?
1-thiophen-3-ylbutan-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 43566008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).