2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

C15H23NO2S — CID 61434836

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(CC)CC2CCCO2)s1
InChIInChI=1S/C15H23NO2S/c1-3-13-7-8-15(19-13)14(17)11-16(4-2)10-12-6-5-9-18-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyNVFIIFSRPYNOFO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds7

About 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone

2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 61434836) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID61434836
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(CC)CC2CCCO2)s1
InChIInChI=1S/C15H23NO2S/c1-3-13-7-8-15(19-13)14(17)11-16(4-2)10-12-6-5-9-18-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyNVFIIFSRPYNOFO-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone 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-(5-bromothiophen-2-yl)-2-[ethyl(oxolan-2-ylmethyl)amino]ethanone
CID 61434786
(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
2-[ethyl(oxolan-2-ylmethyl)amino]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 86953224
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61217701
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (CID 61434836) is 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(CC)CC2CCCO2)s1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is NVFIIFSRPYNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-13-7-8-15(19-13)14(17)11-16(4-2)10-12-6-5-9-18-12/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 61434836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).