2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol

C16H23NOS2 — CID 106252309

IUPAC2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H23NOS2/c1-3-16(4-2,12-18)11-17-9-14-8-13(10-20-14)15-6-5-7-19-15/h5-8,10,17-18H,3-4,9,11-12H2,1-2H3
InChIKeySHKFIAFUOFGLDX-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.36
Rot. Bonds8

About 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol (PubChem CID 106252309) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
PubChem CID106252309
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H23NOS2/c1-3-16(4-2,12-18)11-17-9-14-8-13(10-20-14)15-6-5-7-19-15/h5-8,10,17-18H,3-4,9,11-12H2,1-2H3
InChIKeySHKFIAFUOFGLDX-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol (CID 106252309) is 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol?
The InChIKey is SHKFIAFUOFGLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-3-16(4-2,12-18)11-17-9-14-8-13(10-20-14)15-6-5-7-19-15/h5-8,10,17-18H,3-4,9,11-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol has a molecular weight of 309.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 106252309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).