1-(3-iodothiophen-2-yl)ethanamine

C6H8INS — CID 130160720

IUPAC1-(3-iodothiophen-2-yl)ethanamine
SMILESCC(N)c1sccc1I
InChIInChI=1S/C6H8INS/c1-4(8)6-5(7)2-3-9-6/h2-4H,8H2,1H3
InChIKeyRTYIRPMPKRHQHF-UHFFFAOYSA-N
MW253.11 g/mol
LogP2.37
Rot. Bonds1

About 1-(3-iodothiophen-2-yl)ethanamine

1-(3-iodothiophen-2-yl)ethanamine (PubChem CID 130160720) has the molecular formula C6H8INS and a molecular weight of 253.11 g/mol. Its IUPAC name is 1-(3-iodothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-iodothiophen-2-yl)ethanamine
PubChem CID130160720
Molecular FormulaC6H8INS
Molecular Weight253.11 g/mol
Exact Mass252.94
IUPAC Name1-(3-iodothiophen-2-yl)ethanamine
SMILESCC(N)c1sccc1I
InChIInChI=1S/C6H8INS/c1-4(8)6-5(7)2-3-9-6/h2-4H,8H2,1H3
InChIKeyRTYIRPMPKRHQHF-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 52.37
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 1-(3-iodothiophen-2-yl)ethanamine?
The IUPAC name of 1-(3-iodothiophen-2-yl)ethanamine (CID 130160720) is 1-(3-iodothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-iodothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(3-iodothiophen-2-yl)ethanamine is CC(N)c1sccc1I.
What is the InChIKey of 1-(3-iodothiophen-2-yl)ethanamine?
The InChIKey is RTYIRPMPKRHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INS/c1-4(8)6-5(7)2-3-9-6/h2-4H,8H2,1H3.
What are the key properties of 1-(3-iodothiophen-2-yl)ethanamine?
1-(3-iodothiophen-2-yl)ethanamine has a molecular weight of 253.11 g/mol, XLogP of 2.37, 1 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)ethanamine is sourced from PubChem (CID 130160720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).