methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate

C13H21NO2S — CID 79619619

IUPACmethyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
SMILESCCN(Cc1cccs1)CC(C)(C)C(=O)OC
InChIInChI=1S/C13H21NO2S/c1-5-14(9-11-7-6-8-17-11)10-13(2,3)12(15)16-4/h6-8H,5,9-10H2,1-4H3
InChIKeyBQZHJIYSWDXEIG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.77
Rot. Bonds6

About methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate

methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate (PubChem CID 79619619) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
PubChem CID79619619
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Namemethyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
SMILESCCN(Cc1cccs1)CC(C)(C)C(=O)OC
InChIInChI=1S/C13H21NO2S/c1-5-14(9-11-7-6-8-17-11)10-13(2,3)12(15)16-4/h6-8H,5,9-10H2,1-4H3
InChIKeyBQZHJIYSWDXEIG-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
CID 79621848
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807159
methyl 3-[cyanomethyl(ethyl)amino]-2,2-dimethylpropanoate
CID 79623688

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate (CID 79619619) is methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate is CCN(Cc1cccs1)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The InChIKey is BQZHJIYSWDXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-14(9-11-7-6-8-17-11)10-13(2,3)12(15)16-4/h6-8H,5,9-10H2,1-4H3.
What are the key properties of methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate?
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate has a molecular weight of 255.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79619619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).