2-thiophen-2-ylethanamine;hydroiodide

C6H10INS — CID 171935015

IUPAC2-thiophen-2-ylethanamine;hydroiodide
SMILESI.NCCc1cccs1
InChIInChI=1S/C6H9NS.HI/c7-4-3-6-2-1-5-8-6;/h1-2,5H,3-4,7H2;1H
InChIKeyKLYROMPVPJRYBI-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.87
Rot. Bonds2

About 2-thiophen-2-ylethanamine;hydroiodide

2-thiophen-2-ylethanamine;hydroiodide (PubChem CID 171935015) has the molecular formula C6H10INS and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-thiophen-2-ylethanamine;hydroiodide.

Molecular Properties

Compound Name2-thiophen-2-ylethanamine;hydroiodide
PubChem CID171935015
Molecular FormulaC6H10INS
Molecular Weight255.12 g/mol
Exact Mass254.96
IUPAC Name2-thiophen-2-ylethanamine;hydroiodide
SMILESI.NCCc1cccs1
InChIInChI=1S/C6H9NS.HI/c7-4-3-6-2-1-5-8-6;/h1-2,5H,3-4,7H2;1H
InChIKeyKLYROMPVPJRYBI-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethanamine;hydroiodide?
The IUPAC name of 2-thiophen-2-ylethanamine;hydroiodide (CID 171935015) is 2-thiophen-2-ylethanamine;hydroiodide.
What is the SMILES notation for 2-thiophen-2-ylethanamine;hydroiodide?
The canonical SMILES for 2-thiophen-2-ylethanamine;hydroiodide is I.NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethanamine;hydroiodide?
The InChIKey is KLYROMPVPJRYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.HI/c7-4-3-6-2-1-5-8-6;/h1-2,5H,3-4,7H2;1H.
What are the key properties of 2-thiophen-2-ylethanamine;hydroiodide?
2-thiophen-2-ylethanamine;hydroiodide has a molecular weight of 255.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethanamine;hydroiodide is sourced from PubChem (CID 171935015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).