5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol

C14H19NOS2 — CID 107302865

IUPAC5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H19NOS2/c16-7-3-1-2-6-15-10-13-9-12(11-18-13)14-5-4-8-17-14/h4-5,8-9,11,15-16H,1-3,6-7,10H2
InChIKeyZYRLNMOTNINNJL-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.73
Rot. Bonds8

About 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol

5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol (PubChem CID 107302865) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
PubChem CID107302865
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC Name5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H19NOS2/c16-7-3-1-2-6-15-10-13-9-12(11-18-13)14-5-4-8-17-14/h4-5,8-9,11,15-16H,1-3,6-7,10H2
InChIKeyZYRLNMOTNINNJL-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol (CID 107302865) is 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol is OCCCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The InChIKey is ZYRLNMOTNINNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c16-7-3-1-2-6-15-10-13-9-12(11-18-13)14-5-4-8-17-14/h4-5,8-9,11,15-16H,1-3,6-7,10H2.
What are the key properties of 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol has a molecular weight of 281.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107302865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).