5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one

C12H19NOS — CID 79486633

IUPAC5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-11(14)5-3-8-13(2)9-7-12-6-4-10-15-12/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyVFTNTOZRTKXFLQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.59
Rot. Bonds7

About 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one

5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one (PubChem CID 79486633) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
PubChem CID79486633
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-11(14)5-3-8-13(2)9-7-12-6-4-10-15-12/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyVFTNTOZRTKXFLQ-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one?
The IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one (CID 79486633) is 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one.
What is the SMILES notation for 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one?
The canonical SMILES for 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one is CC(=O)CCCN(C)CCc1cccs1.
What is the InChIKey of 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one?
The InChIKey is VFTNTOZRTKXFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11(14)5-3-8-13(2)9-7-12-6-4-10-15-12/h4,6,10H,3,5,7-9H2,1-2H3.
What are the key properties of 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one?
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one has a molecular weight of 225.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one is sourced from PubChem (CID 79486633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).