N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide

C8H12F3NOS — CID 51078884

IUPACN-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H12F3NOS/c9-8(10,11)14-5-7(13)12-6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyWCQCFOYOZRUTAW-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.30
Rot. Bonds3

About N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide

N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 51078884) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID51078884
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC NameN-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H12F3NOS/c9-8(10,11)14-5-7(13)12-6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyWCQCFOYOZRUTAW-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide (CID 51078884) is N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is WCQCFOYOZRUTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c9-8(10,11)14-5-7(13)12-6-3-1-2-4-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide?
N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 227.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 51078884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).