3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one

C15H17NOS — CID 94272976

IUPAC3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1cccc(C)c1NCCC(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-11-5-3-6-12(2)15(11)16-9-8-13(17)14-7-4-10-18-14/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKQBFAKPVKGUISO-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.05
Rot. Bonds5

About 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one

3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 94272976) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID94272976
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1cccc(C)c1NCCC(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-11-5-3-6-12(2)15(11)16-9-8-13(17)14-7-4-10-18-14/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKQBFAKPVKGUISO-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 4187133
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
CID 94278587
2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone
CID 23738755
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
3-(3-nitroanilino)-1-thiophen-2-ylpropan-1-one
CID 5178727
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
CID 4110944
N-tert-butyl-3-(2,6-dimethylanilino)propanamide
CID 109031328
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one (CID 94272976) is 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one is Cc1cccc(C)c1NCCC(=O)c1cccs1.
What is the InChIKey of 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is KQBFAKPVKGUISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-5-3-6-12(2)15(11)16-9-8-13(17)14-7-4-10-18-14/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one?
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 259.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 94272976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).