2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide

C8H14F3NOS — CID 164739911

IUPAC2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide
SMILESCSC(CNC(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5(2)7(13)12-4-6(14-3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZFWUBBCDCKRUNX-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide

2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide (PubChem CID 164739911) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide
PubChem CID164739911
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide
SMILESCSC(CNC(=O)C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5(2)7(13)12-4-6(14-3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZFWUBBCDCKRUNX-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 58263712
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
N-(2,2-dimethylpropyl)-3,3,3-trifluoro-2-(propylsulfanylmethyl)propanamide
CID 88902638
3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 89308146
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 89344115
2-fluoro-3-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)butanamide
CID 89469314
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118025117
N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
CID 118606354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide (CID 164739911) is 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide is CSC(CNC(=O)C(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide?
The InChIKey is ZFWUBBCDCKRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-5(2)7(13)12-4-6(14-3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide?
2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide has a molecular weight of 229.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 164739911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).