3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one

C15H17NOS — CID 46232023

IUPAC3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one
SMILESCN(CCC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C15H17NOS/c1-16(11-13-5-3-2-4-6-13)9-7-15(17)14-8-10-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyJZYQXXUMJSHQSL-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.45
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one

3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one (PubChem CID 46232023) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one
PubChem CID46232023
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one
SMILESCN(CCC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C15H17NOS/c1-16(11-13-5-3-2-4-6-13)9-7-15(17)14-8-10-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3
InChIKeyJZYQXXUMJSHQSL-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3c
CID 25023797
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
3-[Benzyl(tert-butyl)amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 46216814

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one (CID 46232023) is 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one is CN(CCC(=O)c1ccsc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one?
The InChIKey is JZYQXXUMJSHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16(11-13-5-3-2-4-6-13)9-7-15(17)14-8-10-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one?
3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one has a molecular weight of 259.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 46232023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).