1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one

C11H16N2OS — CID 81407977

IUPAC1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](NC1CCN(C)C1=O)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-8(10-4-3-7-15-10)12-9-5-6-13(2)11(9)14/h3-4,7-9,12H,5-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyPJMUBZIDPRKHDQ-VEDVMXKPSA-N
MW224.33 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one

1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one (PubChem CID 81407977) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
PubChem CID81407977
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](NC1CCN(C)C1=O)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-8(10-4-3-7-15-10)12-9-5-6-13(2)11(9)14/h3-4,7-9,12H,5-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyPJMUBZIDPRKHDQ-VEDVMXKPSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one
CID 106253082
1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
1-methyl-3-[1-(2,3,4-trichlorophenyl)ethylamino]pyrrolidin-2-one
CID 103902425
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one (CID 81407977) is 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one is C[C@@H](NC1CCN(C)C1=O)c1cccs1.
What is the InChIKey of 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one?
The InChIKey is PJMUBZIDPRKHDQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(10-4-3-7-15-10)12-9-5-6-13(2)11(9)14/h3-4,7-9,12H,5-6H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one?
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 81407977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).