2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone

C13H15NO2S — CID 62037588

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
SMILESCc1occc1CN(C)CC(=O)c1cccs1
InChIInChI=1S/C13H15NO2S/c1-10-11(5-6-16-10)8-14(2)9-12(15)13-4-3-7-17-13/h3-7H,8-9H2,1-2H3
InChIKeyHEOQERNQONQPAJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.96
Rot. Bonds5

About 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone (PubChem CID 62037588) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
PubChem CID62037588
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
SMILESCc1occc1CN(C)CC(=O)c1cccs1
InChIInChI=1S/C13H15NO2S/c1-10-11(5-6-16-10)8-14(2)9-12(15)13-4-3-7-17-13/h3-7H,8-9H2,1-2H3
InChIKeyHEOQERNQONQPAJ-UHFFFAOYSA-N
XLogP2.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone 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

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287748
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N-methyl-3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]propanamide
CID 106916547
1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanone
CID 62035275
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60694532
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone (CID 62037588) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone is Cc1occc1CN(C)CC(=O)c1cccs1.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone?
The InChIKey is HEOQERNQONQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10-11(5-6-16-10)8-14(2)9-12(15)13-4-3-7-17-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone?
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone has a molecular weight of 249.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 62037588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).