1-(5-iodothiophen-3-yl)propan-1-amine

C7H10INS — CID 114980142

IUPAC1-(5-iodothiophen-3-yl)propan-1-amine
SMILESCCC(N)c1csc(I)c1
InChIInChI=1S/C7H10INS/c1-2-6(9)5-3-7(8)10-4-5/h3-4,6H,2,9H2,1H3
InChIKeyRWCDLUOOMATCIR-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.76
Rot. Bonds2

About 1-(5-iodothiophen-3-yl)propan-1-amine

1-(5-iodothiophen-3-yl)propan-1-amine (PubChem CID 114980142) has the molecular formula C7H10INS and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)propan-1-amine
PubChem CID114980142
Molecular FormulaC7H10INS
Molecular Weight267.13 g/mol
Exact Mass266.96
IUPAC Name1-(5-iodothiophen-3-yl)propan-1-amine
SMILESCCC(N)c1csc(I)c1
InChIInChI=1S/C7H10INS/c1-2-6(9)5-3-7(8)10-4-5/h3-4,6H,2,9H2,1H3
InChIKeyRWCDLUOOMATCIR-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-iodothiophen-3-yl)propan-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

[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
CID 55292824
1-(5-fluorothiophen-3-yl)propan-1-amine
CID 130000553
4-[(1R)-1-aminopropyl]thiophen-2-ol
CID 130970107
1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
CID 114979107
(1R)-1-(5-methoxythiophen-3-yl)propan-1-amine
CID 130642103
1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine
CID 107893890
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
CID 105002287
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)propan-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)propan-1-amine (CID 114980142) is 1-(5-iodothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)propan-1-amine is CCC(N)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)propan-1-amine?
The InChIKey is RWCDLUOOMATCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INS/c1-2-6(9)5-3-7(8)10-4-5/h3-4,6H,2,9H2,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)propan-1-amine?
1-(5-iodothiophen-3-yl)propan-1-amine has a molecular weight of 267.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 114980142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).