3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine

C12H15NO2S — CID 63557089

IUPAC3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1COC1CCOC1
InChIInChI=1S/C12H15NO2S/c13-5-1-2-10-4-7-16-12(10)9-15-11-3-6-14-8-11/h4,7,11H,3,5-6,8-9,13H2
InChIKeyADQKKJHAZDUZRM-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.36
Rot. Bonds3

About 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine

3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 63557089) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
PubChem CID63557089
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1COC1CCOC1
InChIInChI=1S/C12H15NO2S/c13-5-1-2-10-4-7-16-12(10)9-15-11-3-6-14-8-11/h4,7,11H,3,5-6,8-9,13H2
InChIKeyADQKKJHAZDUZRM-UHFFFAOYSA-N
XLogP1.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 55212355
3-[2-[(3,4-dimethylcyclohexyl)oxymethyl]thiophen-3-yl]prop-2-yn-1-amine
CID 64745794
3-[2-fluoro-5-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 63557876
3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 55226633
3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66322666
3-(oxolan-3-yloxymethyl)thiophene-2-carboxylic acid
CID 63641042
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54977307
3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66277641
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63801465
3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 55219086
4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine (CID 63557089) is 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine is NCC#Cc1ccsc1COC1CCOC1.
What is the InChIKey of 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is ADQKKJHAZDUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c13-5-1-2-10-4-7-16-12(10)9-15-11-3-6-14-8-11/h4,7,11H,3,5-6,8-9,13H2.
What are the key properties of 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 237.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 63557089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).