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

C16H23NOS2 — CID 103707851

IUPAC3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H23NOS2/c1-2-4-13(6-7-18)10-17-11-15-9-14(12-20-15)16-5-3-8-19-16/h3,5,8-9,12-13,17-18H,2,4,6-7,10-11H2,1H3
InChIKeyTYIKZVKCXCUTHJ-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.36
Rot. Bonds9

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

3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol (PubChem CID 103707851) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
PubChem CID103707851
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H23NOS2/c1-2-4-13(6-7-18)10-17-11-15-9-14(12-20-15)16-5-3-8-19-16/h3,5,8-9,12-13,17-18H,2,4,6-7,10-11H2,1H3
InChIKeyTYIKZVKCXCUTHJ-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 112727524
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
CID 106252309
2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 115763952
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol (CID 103707851) is 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol?
The InChIKey is TYIKZVKCXCUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-2-4-13(6-7-18)10-17-11-15-9-14(12-20-15)16-5-3-8-19-16/h3,5,8-9,12-13,17-18H,2,4,6-7,10-11H2,1H3.
What are the key properties of 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol?
3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol has a molecular weight of 309.50 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103707851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).