1-(3-iodothiophen-2-yl)but-3-en-1-amine

C8H10INS — CID 130160724

IUPAC1-(3-iodothiophen-2-yl)but-3-en-1-amine
SMILESC=CCC(N)c1sccc1I
InChIInChI=1S/C8H10INS/c1-2-3-7(10)8-6(9)4-5-11-8/h2,4-5,7H,1,3,10H2
InChIKeyAWJSRLZUQSGKDL-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-iodothiophen-2-yl)but-3-en-1-amine

1-(3-iodothiophen-2-yl)but-3-en-1-amine (PubChem CID 130160724) has the molecular formula C8H10INS and a molecular weight of 279.15 g/mol. Its IUPAC name is 1-(3-iodothiophen-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(3-iodothiophen-2-yl)but-3-en-1-amine
PubChem CID130160724
Molecular FormulaC8H10INS
Molecular Weight279.15 g/mol
Exact Mass278.96
IUPAC Name1-(3-iodothiophen-2-yl)but-3-en-1-amine
SMILESC=CCC(N)c1sccc1I
InChIInChI=1S/C8H10INS/c1-2-3-7(10)8-6(9)4-5-11-8/h2,4-5,7H,1,3,10H2
InChIKeyAWJSRLZUQSGKDL-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-iodothiophen-2-yl)but-3-en-1-amine 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

(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-iodothiophen-2-yl)ethanamine
CID 130160720
2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
CID 130576033
(1S)-1-(2-bromo-3-iodophenyl)but-3-en-1-amine
CID 130741028
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
1-(1,2-thiazol-3-yl)but-3-en-1-amine
CID 130632089
4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
CID 130731072
(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
(1S)-1-(5-iodo-2-methylphenyl)but-3-en-1-amine
CID 131128352
(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 130914169

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodothiophen-2-yl)but-3-en-1-amine?
The IUPAC name of 1-(3-iodothiophen-2-yl)but-3-en-1-amine (CID 130160724) is 1-(3-iodothiophen-2-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(3-iodothiophen-2-yl)but-3-en-1-amine?
The canonical SMILES for 1-(3-iodothiophen-2-yl)but-3-en-1-amine is C=CCC(N)c1sccc1I.
What is the InChIKey of 1-(3-iodothiophen-2-yl)but-3-en-1-amine?
The InChIKey is AWJSRLZUQSGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INS/c1-2-3-7(10)8-6(9)4-5-11-8/h2,4-5,7H,1,3,10H2.
What are the key properties of 1-(3-iodothiophen-2-yl)but-3-en-1-amine?
1-(3-iodothiophen-2-yl)but-3-en-1-amine has a molecular weight of 279.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodothiophen-2-yl)but-3-en-1-amine is sourced from PubChem (CID 130160724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).