2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine

C15H13NS2Se — CID 10689189

IUPAC2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine
SMILESNc1ccsc1C([Se]c1ccccc1)c1cccs1
InChIInChI=1S/C15H13NS2Se/c16-12-8-10-18-14(12)15(13-7-4-9-17-13)19-11-5-2-1-3-6-11/h1-10,15H,16H2
InChIKeyQCULWKAOODZCDC-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.51
Rot. Bonds4

About 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine

2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine (PubChem CID 10689189) has the molecular formula C15H13NS2Se and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine
PubChem CID10689189
Molecular FormulaC15H13NS2Se
Molecular Weight350.37 g/mol
Exact Mass350.97
IUPAC Name2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine
SMILESNc1ccsc1C([Se]c1ccccc1)c1cccs1
InChIInChI=1S/C15H13NS2Se/c16-12-8-10-18-14(12)15(13-7-4-9-17-13)19-11-5-2-1-3-6-11/h1-10,15H,16H2
InChIKeyQCULWKAOODZCDC-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine?
The IUPAC name of 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine (CID 10689189) is 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine?
The canonical SMILES for 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine is Nc1ccsc1C([Se]c1ccccc1)c1cccs1.
What is the InChIKey of 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine?
The InChIKey is QCULWKAOODZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS2Se/c16-12-8-10-18-14(12)15(13-7-4-9-17-13)19-11-5-2-1-3-6-11/h1-10,15H,16H2.
What are the key properties of 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine?
2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine has a molecular weight of 350.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 10689189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).