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

C11H17NO2S — CID 61451901

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
SMILESCOCC(C)N(C)CC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(8-14-3)12(2)7-10(13)11-5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyQIOVENSDLAWBSW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.90
Rot. Bonds6

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

2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone (PubChem CID 61451901) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
PubChem CID61451901
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
SMILESCOCC(C)N(C)CC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(8-14-3)12(2)7-10(13)11-5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyQIOVENSDLAWBSW-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61451983
1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452201
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-amino-N-methyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide
CID 77144663
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
1-thiophen-2-ylpropan-1-one
CID 26179
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone (CID 61451901) is 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone is COCC(C)N(C)CC(=O)c1cccs1.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is QIOVENSDLAWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(8-14-3)12(2)7-10(13)11-5-4-6-15-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone?
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 227.33 g/mol, XLogP of 1.90, 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-thiophen-2-ylethanone is sourced from PubChem (CID 61451901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).