3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one

C9H15F3N2OS — CID 106432536

IUPAC3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
SMILESCNC1CCCN(CCSC(F)(F)F)C1=O
InChIInChI=1S/C9H15F3N2OS/c1-13-7-3-2-4-14(8(7)15)5-6-16-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyQWVBMNXDSBWHEF-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.45
Rot. Bonds4

About 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one

3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one (PubChem CID 106432536) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
PubChem CID106432536
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
SMILESCNC1CCCN(CCSC(F)(F)F)C1=O
InChIInChI=1S/C9H15F3N2OS/c1-13-7-3-2-4-14(8(7)15)5-6-16-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyQWVBMNXDSBWHEF-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-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

3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
CID 106432540
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one
CID 106248107
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
CID 113464183
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(methylamino)piperidin-2-one
CID 83114919
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 106305751
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
CID 66173488

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one?
The IUPAC name of 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one (CID 106432536) is 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one is CNC1CCCN(CCSC(F)(F)F)C1=O.
What is the InChIKey of 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one?
The InChIKey is QWVBMNXDSBWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-13-7-3-2-4-14(8(7)15)5-6-16-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one?
3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one has a molecular weight of 256.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one is sourced from PubChem (CID 106432536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).