N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide

C8H13F3N2OS — CID 119386648

IUPACN-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCNCC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyUQFTUUZMGPIGIO-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.11
Rot. Bonds3

About N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide

N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 119386648) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID119386648
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC NameN-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCNCC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyUQFTUUZMGPIGIO-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide (CID 119386648) is N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is UQFTUUZMGPIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)15-5-7(14)13-6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide?
N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 242.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 119386648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).