2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C12H19NO2S — CID 61451983

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO2S/c1-9(8-15-4)13(3)7-11(14)12-6-5-10(2)16-12/h5-6,9H,7-8H2,1-4H3
InChIKeyKJSIRZRYRBWBED-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.21
Rot. Bonds6

About 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 61451983) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID61451983
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO2S/c1-9(8-15-4)13(3)7-11(14)12-6-5-10(2)16-12/h5-6,9H,7-8H2,1-4H3
InChIKeyKJSIRZRYRBWBED-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 54999646
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452201
3,3-dimethoxy-1-(5-methylthiophen-2-yl)propan-1-one
CID 115480651
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 61451983) is 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone is COCC(C)N(C)CC(=O)c1ccc(C)s1.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is KJSIRZRYRBWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(8-15-4)13(3)7-11(14)12-6-5-10(2)16-12/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 241.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 61451983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).