N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C7H12F3NO2S — CID 103915338

IUPACN-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14-4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyMUFSFANOFRDORW-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.73
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915338) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915338
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14-4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyMUFSFANOFRDORW-UHFFFAOYSA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetyl-beta-(methyl)thiocholine iodide
CID 129679322
Acetyl-3-methylthiocholine iodide
CID 129690662
2-(cyanomethylsulfanyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915405
N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915449
N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915469
N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915513
N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 103915542
2-[2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569651
2-[2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107478980
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
CID 107482411
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 107482425
2-(cyanomethylsulfanyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482755

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 103915338) is N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CSCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MUFSFANOFRDORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-14-4-6(13)11(2-3-12)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 231.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).