methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate

C14H23NO3S — CID 82942790

IUPACmethyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
SMILESCCCOCCCNCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C14H23NO3S/c1-3-8-18-9-4-7-15-11-13-6-5-12(19-13)10-14(16)17-2/h5-6,15H,3-4,7-11H2,1-2H3
InChIKeyOMDFWEZCMMOOIY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.37
Rot. Bonds10

About methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate (PubChem CID 82942790) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
PubChem CID82942790
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
SMILESCCCOCCCNCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C14H23NO3S/c1-3-8-18-9-4-7-15-11-13-6-5-12(19-13)10-14(16)17-2/h5-6,15H,3-4,7-11H2,1-2H3
InChIKeyOMDFWEZCMMOOIY-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate 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

methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
methyl 2-[5-[(3-ethylsulfanylpropylamino)methyl]thiophen-2-yl]acetate
CID 114247942
methyl 2-[5-[[2-(2-methylpropoxy)ethylamino]methyl]thiophen-2-yl]acetate
CID 115904857
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82894780
methyl 2-[5-[(3-methylsulfinylbutylamino)methyl]thiophen-2-yl]acetate
CID 115924398
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate (CID 82942790) is methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate is CCCOCCCNCc1ccc(CC(=O)OC)s1.
What is the InChIKey of methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is OMDFWEZCMMOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-8-18-9-4-7-15-11-13-6-5-12(19-13)10-14(16)17-2/h5-6,15H,3-4,7-11H2,1-2H3.
What are the key properties of methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 285.41 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82942790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).