3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one

C15H17NOS — CID 11253954

IUPAC3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C15H17NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11H,9-10,12H2,1H3
InChIKeyZFHDLFSAKBZORM-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.45
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one

3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 11253954) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID11253954
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C15H17NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11H,9-10,12H2,1H3
InChIKeyZFHDLFSAKBZORM-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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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one (CID 11253954) is 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one is CN(CCC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is ZFHDLFSAKBZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[benzyl(methyl)amino]-1-thiophen-2-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-2-ylpropan-1-one is sourced from PubChem (CID 11253954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).