N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide

C9H16F3N3OS — CID 119445646

IUPACN-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C9H16F3N3OS/c10-9(11,12)17-7-8(16)14-3-6-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16)
InChIKeyVGYHDSZZNIUAFV-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.26
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide

N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 119445646) has the molecular formula C9H16F3N3OS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID119445646
Molecular FormulaC9H16F3N3OS
Molecular Weight271.31 g/mol
Exact Mass271.10
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C9H16F3N3OS/c10-9(11,12)17-7-8(16)14-3-6-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16)
InChIKeyVGYHDSZZNIUAFV-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide (CID 119445646) is N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is VGYHDSZZNIUAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3OS/c10-9(11,12)17-7-8(16)14-3-6-15-4-1-13-2-5-15/h13H,1-7H2,(H,14,16).
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)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 N-(2-piperazin-1-ylethyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 119445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).