(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H17F3N2OS — CID 129422475

IUPAC(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC[C@@H](c1cccs1)N(C)[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-9(11-4-3-7-20-11)17(2)10-5-6-18(12(10)19)8-13(14,15)16/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKZVGNUFCXSOTED-UWVGGRQHSA-N
MW306.35 g/mol
LogP2.90
Rot. Bonds4

About (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 129422475) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID129422475
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC[C@@H](c1cccs1)N(C)[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-9(11-4-3-7-20-11)17(2)10-5-6-18(12(10)19)8-13(14,15)16/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKZVGNUFCXSOTED-UWVGGRQHSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

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N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
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tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
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1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855966
3-[butyl(2-hydroxyethyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111113295
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 129422475) is (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is C[C@@H](c1cccs1)N(C)[C@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is KZVGNUFCXSOTED-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-9(11-4-3-7-20-11)17(2)10-5-6-18(12(10)19)8-13(14,15)16/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 306.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 129422475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).