4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one

C12H19NOS — CID 64696669

IUPAC4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)C(C)c1cccs1
InChIInChI=1S/C12H19NOS/c1-9(8-10(2)14)13(4)11(3)12-6-5-7-15-12/h5-7,9,11H,8H2,1-4H3
InChIKeyWQOPDTPYOLWZBW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.11
Rot. Bonds5

About 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one

4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one (PubChem CID 64696669) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
PubChem CID64696669
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)C(C)c1cccs1
InChIInChI=1S/C12H19NOS/c1-9(8-10(2)14)13(4)11(3)12-6-5-7-15-12/h5-7,9,11H,8H2,1-4H3
InChIKeyWQOPDTPYOLWZBW-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one?
The IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one (CID 64696669) is 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one is CC(=O)CC(C)N(C)C(C)c1cccs1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one?
The InChIKey is WQOPDTPYOLWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(8-10(2)14)13(4)11(3)12-6-5-7-15-12/h5-7,9,11H,8H2,1-4H3.
What are the key properties of 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one?
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one has a molecular weight of 225.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one is sourced from PubChem (CID 64696669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).