N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C8H14F3NO2S — CID 103915542

IUPACN-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-15-5-2-7(14)12(3-4-13)6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyDZSWANTVZCUBCG-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.12
Rot. Bonds6

About N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915542) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915542
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-15-5-2-7(14)12(3-4-13)6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyDZSWANTVZCUBCG-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 103915542) is N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CSCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DZSWANTVZCUBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-15-5-2-7(14)12(3-4-13)6-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 245.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).