2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C10H18F3N3OS — CID 103809155

IUPAC2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNC1CCN(CC(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3OS/c11-10(12,13)18-6-3-15-9(17)7-16-4-1-8(14)2-5-16/h8H,1-7,14H2,(H,15,17)
InChIKeyJUZZBGARYUABQJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.78
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 103809155) has the molecular formula C10H18F3N3OS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID103809155
Molecular FormulaC10H18F3N3OS
Molecular Weight285.34 g/mol
Exact Mass285.11
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNC1CCN(CC(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3OS/c11-10(12,13)18-6-3-15-9(17)7-16-4-1-8(14)2-5-16/h8H,1-7,14H2,(H,15,17)
InChIKeyJUZZBGARYUABQJ-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
CID 21059953
(2S)-2-amino-N-(2-piperidin-1-ylethyl)-5-(3,3,3-trifluoro-2-oxopropyl)sulfanylpentanamide
CID 68939583
1-(4,4-Difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 116991081
2-(4,4-difluoropiperidin-1-yl)-N-propan-2-ylacetamide
CID 129257461
S-[2-[[(3S)-1-tert-butyl-5,5-difluoropiperidin-3-yl]amino]-2-oxoethyl] ethanethioate
CID 176340320
2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43556829
2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 43603375
2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 43607182
N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide
CID 43755049

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 103809155) is 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is NC1CCN(CC(=O)NCCSC(F)(F)F)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is JUZZBGARYUABQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3OS/c11-10(12,13)18-6-3-15-9(17)7-16-4-1-8(14)2-5-16/h8H,1-7,14H2,(H,15,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103809155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).