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

C9H16F3N3OS — CID 114187625

IUPAC2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESO=C(CN1CCNCC1)NCCSC(F)(F)F
InChIInChI=1S/C9H16F3N3OS/c10-9(11,12)17-6-3-14-8(16)7-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16)
InChIKeyYTJVVDFAYWNHPH-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.26
Rot. Bonds5

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

2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 114187625) has the molecular formula C9H16F3N3OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID114187625
Molecular FormulaC9H16F3N3OS
Molecular Weight271.31 g/mol
Exact Mass271.10
IUPAC Name2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESO=C(CN1CCNCC1)NCCSC(F)(F)F
InChIInChI=1S/C9H16F3N3OS/c10-9(11,12)17-6-3-14-8(16)7-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16)
InChIKeyYTJVVDFAYWNHPH-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.26
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

trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
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2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
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2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N-[2-(trifluoromethylsulfanyl)ethyl]azepane-1-carboxamide
CID 113225960

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 114187625) is 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is O=C(CN1CCNCC1)NCCSC(F)(F)F.
What is the InChIKey of 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is YTJVVDFAYWNHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3OS/c10-9(11,12)17-6-3-14-8(16)7-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16).
What are the key properties of 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 271.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 114187625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).