N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide

C8H12F3NO2S — CID 51078872

IUPACN-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C8H12F3NO2S/c9-8(10,11)15-5-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)
InChIKeyJJWSENFSLKANFM-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.53
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide

N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 51078872) has the molecular formula C8H12F3NO2S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID51078872
Molecular FormulaC8H12F3NO2S
Molecular Weight243.25 g/mol
Exact Mass243.05
IUPAC NameN-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C8H12F3NO2S/c9-8(10,11)15-5-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)
InChIKeyJJWSENFSLKANFM-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpropanoic acid
CID 43237289
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
CID 4206975
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide (CID 51078872) is N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is JJWSENFSLKANFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2S/c9-8(10,11)15-5-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 243.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 51078872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).