4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol

C15H21NOS2 — CID 103700932

IUPAC4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c1-11(2)14(5-6-17)16-9-13-8-12(10-19-13)15-4-3-7-18-15/h3-4,7-8,10-11,14,16-17H,5-6,9H2,1-2H3
InChIKeyYMZKGDGBRHOIIO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.97
Rot. Bonds7

About 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol

4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol (PubChem CID 103700932) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
PubChem CID103700932
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c1-11(2)14(5-6-17)16-9-13-8-12(10-19-13)15-4-3-7-18-15/h3-4,7-8,10-11,14,16-17H,5-6,9H2,1-2H3
InChIKeyYMZKGDGBRHOIIO-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol (CID 103700932) is 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol is CC(C)C(CCO)NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
The InChIKey is YMZKGDGBRHOIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-11(2)14(5-6-17)16-9-13-8-12(10-19-13)15-4-3-7-18-15/h3-4,7-8,10-11,14,16-17H,5-6,9H2,1-2H3.
What are the key properties of 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol?
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol has a molecular weight of 295.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103700932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).