N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide

C6H10F3NOS — CID 155154973

IUPACN-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide
SMILESCSC(CNC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-4(11)10-3-5(12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyWPTOFDXIIDPWEH-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.42
Rot. Bonds3

About N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide

N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide (PubChem CID 155154973) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide
PubChem CID155154973
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC NameN-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide
SMILESCSC(CNC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-4(11)10-3-5(12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyWPTOFDXIIDPWEH-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfanylethyl)acetamide
CID 2245987
N-[3-(Methylsulfanyl)propyl]acetamide
CID 14296346
6-(Trifluoromethyl)thiomorpholin-3-one
CID 130836299
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-[2-[(2R)-2-aminopropyl]sulfanylethyl]-2,2,2-trifluoroacetamide
CID 54007626
2,2,2-trifluoro-N-[[(2S,5S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880429
2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880433
2,2,2-trifluoro-N-(3-sulfanylpropyl)acetamide
CID 86142109
2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
CID 88837563
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
S-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ethanethioate
CID 89216804

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide (CID 155154973) is N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide is CSC(CNC(C)=O)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide?
The InChIKey is WPTOFDXIIDPWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-4(11)10-3-5(12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide?
N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide has a molecular weight of 201.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 155154973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).