6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol

C15H21NOS2 — CID 103924165

IUPAC6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c17-8-4-2-1-3-7-16-11-14-10-13(12-19-14)15-6-5-9-18-15/h5-6,9-10,12,16-17H,1-4,7-8,11H2
InChIKeyQVOIZLNRQVSWJC-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.12
Rot. Bonds9

About 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol

6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol (PubChem CID 103924165) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
PubChem CID103924165
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c17-8-4-2-1-3-7-16-11-14-10-13(12-19-14)15-6-5-9-18-15/h5-6,9-10,12,16-17H,1-4,7-8,11H2
InChIKeyQVOIZLNRQVSWJC-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.12
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 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol (CID 103924165) is 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol is OCCCCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol?
The InChIKey is QVOIZLNRQVSWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c17-8-4-2-1-3-7-16-11-14-10-13(12-19-14)15-6-5-9-18-15/h5-6,9-10,12,16-17H,1-4,7-8,11H2.
What are the key properties of 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol?
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol has a molecular weight of 295.47 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).