5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one

C15H20F2N2OS — CID 84588338

IUPAC5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H20F2N2OS/c1-10(18-12-5-8-14(20)19(2)9-12)11-3-6-13(7-4-11)21-15(16)17/h3-4,6-7,10,12,15,18H,5,8-9H2,1-2H3
InChIKeyFNPQCDJKTZNANN-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.27
Rot. Bonds5

About 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one

5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one (PubChem CID 84588338) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one
PubChem CID84588338
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H20F2N2OS/c1-10(18-12-5-8-14(20)19(2)9-12)11-3-6-13(7-4-11)21-15(16)17/h3-4,6-7,10,12,15,18H,5,8-9H2,1-2H3
InChIKeyFNPQCDJKTZNANN-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one (CID 84588338) is 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one is CC(NC1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one?
The InChIKey is FNPQCDJKTZNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-10(18-12-5-8-14(20)19(2)9-12)11-3-6-13(7-4-11)21-15(16)17/h3-4,6-7,10,12,15,18H,5,8-9H2,1-2H3.
What are the key properties of 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one?
5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one has a molecular weight of 314.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 84588338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).