4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one

C12H13F3N2OS — CID 106181631

IUPAC4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(SC(F)(F)F)cc2)CN1
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-3-1-8(2-4-10)6-16-9-5-11(18)17-7-9/h1-4,9,16H,5-7H2,(H,17,18)
InChIKeyQQJVPMUDYCWERG-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.28
Rot. Bonds4

About 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one

4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one (PubChem CID 106181631) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
PubChem CID106181631
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(SC(F)(F)F)cc2)CN1
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-3-1-8(2-4-10)6-16-9-5-11(18)17-7-9/h1-4,9,16H,5-7H2,(H,17,18)
InChIKeyQQJVPMUDYCWERG-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 43751195
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 62365258
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106181767
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one (CID 106181631) is 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one is O=C1CC(NCc2ccc(SC(F)(F)F)cc2)CN1.
What is the InChIKey of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one?
The InChIKey is QQJVPMUDYCWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-12(14,15)19-10-3-1-8(2-4-10)6-16-9-5-11(18)17-7-9/h1-4,9,16H,5-7H2,(H,17,18).
What are the key properties of 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one?
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one has a molecular weight of 290.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106181631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).