2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone

C11H17NOS — CID 43795696

IUPAC2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)CN(C)CC(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(2)7-12(3)8-10(13)11-5-4-6-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyQMFUZKOZMPDYHG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.52
Rot. Bonds5

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

2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone (PubChem CID 43795696) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
PubChem CID43795696
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)CN(C)CC(=O)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(2)7-12(3)8-10(13)11-5-4-6-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyQMFUZKOZMPDYHG-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide
CID 77144663
N-methyl-3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]propanamide
CID 106916547
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
CID 62037588
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
CID 55010317
1-thiophen-2-ylpropan-1-one
CID 26179
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone (CID 43795696) is 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone is CC(C)CN(C)CC(=O)c1cccs1.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is QMFUZKOZMPDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(2)7-12(3)8-10(13)11-5-4-6-14-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone?
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 211.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 43795696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).