1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone

C13H21NOS — CID 43795704

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)CC(C)C)c(C)s1
InChIInChI=1S/C13H21NOS/c1-9(2)7-14(5)8-13(15)12-6-10(3)16-11(12)4/h6,9H,7-8H2,1-5H3
InChIKeyUFILQUSBMMMNEJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone (PubChem CID 43795704) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
PubChem CID43795704
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)CC(C)C)c(C)s1
InChIInChI=1S/C13H21NOS/c1-9(2)7-14(5)8-13(15)12-6-10(3)16-11(12)4/h6,9H,7-8H2,1-5H3
InChIKeyUFILQUSBMMMNEJ-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone
CID 54999652
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62052898
2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62030555
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43222252
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797490
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone (CID 43795704) is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone is Cc1cc(C(=O)CN(C)CC(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone?
The InChIKey is UFILQUSBMMMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)7-14(5)8-13(15)12-6-10(3)16-11(12)4/h6,9H,7-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone has a molecular weight of 239.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone is sourced from PubChem (CID 43795704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).