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

C15H17NO2S2 — CID 2064475

IUPAC3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCC(=O)c1cccs1)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyNJBMZVDZPDAZOZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.59
Rot. Bonds8

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

3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 2064475) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID2064475
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCC(=O)c1cccs1)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyNJBMZVDZPDAZOZ-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one (CID 2064475) is 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one is CN(CCC(=O)c1cccs1)CCC(=O)c1cccs1.
What is the InChIKey of 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is NJBMZVDZPDAZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 307.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2064475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).