1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine

C13H21NO2S — CID 55021106

IUPAC1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCC1CCOC1)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-2-11(14)13(12-4-3-7-17-12)16-9-10-5-6-15-8-10/h3-4,7,10-11,13H,2,5-6,8-9,14H2,1H3
InChIKeyIYQHRQOKJRQJKA-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.58
Rot. Bonds6

About 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine

1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 55021106) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID55021106
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCC1CCOC1)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-2-11(14)13(12-4-3-7-17-12)16-9-10-5-6-15-8-10/h3-4,7,10-11,13H,2,5-6,8-9,14H2,1H3
InChIKeyIYQHRQOKJRQJKA-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-1-(oxolan-3-ylmethoxy)butan-2-amine
CID 55018768
1-(2-cyclobutylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 106200095
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
CID 62995172
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020930
N-(dithiophen-2-ylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102672384
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine (CID 55021106) is 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(OCC1CCOC1)c1cccs1.
What is the InChIKey of 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is IYQHRQOKJRQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-2-11(14)13(12-4-3-7-17-12)16-9-10-5-6-15-8-10/h3-4,7,10-11,13H,2,5-6,8-9,14H2,1H3.
What are the key properties of 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine?
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55021106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).