1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine

C11H17NO2S — CID 65351038

IUPAC1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1COCCO1
InChIInChI=1S/C11H17NO2S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-11H,1-2,4-5,7,12H2
InChIKeyOXVVZGKDUKDQGA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.42
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine

1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 65351038) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID65351038
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1COCCO1
InChIInChI=1S/C11H17NO2S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-11H,1-2,4-5,7,12H2
InChIKeyOXVVZGKDUKDQGA-UHFFFAOYSA-N
XLogP1.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-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-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
1-(oxolan-2-yl)-2-thiophen-3-ylethanamine
CID 61080120
[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105249682
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626558
1-(4-ethylmorpholin-2-yl)-2-thiophen-3-ylethanamine
CID 79667283

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 65351038) is 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is OXVVZGKDUKDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c12-10(11-7-13-4-5-14-11)2-1-9-3-6-15-8-9/h3,6,8,10-11H,1-2,4-5,7,12H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine?
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 65351038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).