N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2OS — CID 103709477

IUPACN-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCSC1CCC(NC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2OS/c1-2-18-9-4-3-8(5-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyDRIFCUSOIRUJQF-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.93
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103709477) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103709477
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCSC1CCC(NC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2OS/c1-2-18-9-4-3-8(5-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyDRIFCUSOIRUJQF-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103709477) is N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCSC1CCC(NC(=O)CNCC(F)(F)F)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DRIFCUSOIRUJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-2-18-9-4-3-8(5-9)16-10(17)6-15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 284.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103709477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).