N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine

C15H19NSSe — CID 10520010

IUPACN-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine
SMILESCCNc1ccsc1C(CC)[Se]c1ccccc1
InChIInChI=1S/C15H19NSSe/c1-3-14(18-12-8-6-5-7-9-12)15-13(16-4-2)10-11-17-15/h5-11,14,16H,3-4H2,1-2H3
InChIKeyNWQVSIJQGJRCAG-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.66
Rot. Bonds6

About N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine

N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine (PubChem CID 10520010) has the molecular formula C15H19NSSe and a molecular weight of 324.35 g/mol. Its IUPAC name is N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine
PubChem CID10520010
Molecular FormulaC15H19NSSe
Molecular Weight324.35 g/mol
Exact Mass325.04
IUPAC NameN-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine
SMILESCCNc1ccsc1C(CC)[Se]c1ccccc1
InChIInChI=1S/C15H19NSSe/c1-3-14(18-12-8-6-5-7-9-12)15-13(16-4-2)10-11-17-15/h5-11,14,16H,3-4H2,1-2H3
InChIKeyNWQVSIJQGJRCAG-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine?
The IUPAC name of N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine (CID 10520010) is N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine.
What is the SMILES notation for N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine?
The canonical SMILES for N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine is CCNc1ccsc1C(CC)[Se]c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine?
The InChIKey is NWQVSIJQGJRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NSSe/c1-3-14(18-12-8-6-5-7-9-12)15-13(16-4-2)10-11-17-15/h5-11,14,16H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine?
N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine has a molecular weight of 324.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine is sourced from PubChem (CID 10520010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).