1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one

C10H13F3N2OS — CID 106429026

IUPAC1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)17-8-5-14-4-7-15-6-2-1-3-9(15)16/h1-3,6,14H,4-5,7-8H2
InChIKeySSGDCBQXBCDGMB-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one

1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one (PubChem CID 106429026) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one
PubChem CID106429026
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)17-8-5-14-4-7-15-6-2-1-3-9(15)16/h1-3,6,14H,4-5,7-8H2
InChIKeySSGDCBQXBCDGMB-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one (CID 106429026) is 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one is O=c1ccccn1CCNCCSC(F)(F)F.
What is the InChIKey of 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one?
The InChIKey is SSGDCBQXBCDGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)17-8-5-14-4-7-15-6-2-1-3-9(15)16/h1-3,6,14H,4-5,7-8H2.
What are the key properties of 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one?
1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one has a molecular weight of 266.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 106429026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).