3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one

C10H15F3N2OS — CID 106432540

IUPAC3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCSC(F)(F)F
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)17-6-5-15-4-3-8(9(15)16)14-7-1-2-7/h7-8,14H,1-6H2
InChIKeyLGOWNPROCPKQIF-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.59
Rot. Bonds5

About 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one

3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 106432540) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID106432540
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCSC(F)(F)F
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)17-6-5-15-4-3-8(9(15)16)14-7-1-2-7/h7-8,14H,1-6H2
InChIKeyLGOWNPROCPKQIF-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
CID 106432536
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106338480
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
3-(cyclopropylamino)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-2-one
CID 65313580
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one (CID 106432540) is 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one is O=C1C(NC2CC2)CCN1CCSC(F)(F)F.
What is the InChIKey of 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is LGOWNPROCPKQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c11-10(12,13)17-6-5-15-4-3-8(9(15)16)14-7-1-2-7/h7-8,14H,1-6H2.
What are the key properties of 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 268.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 106432540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).