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

C6H10F3NO2S — CID 107494897

IUPACN-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-10(1-2-11)5(12)3-13/h11,13H,1-4H2
InChIKeyHWADTOYOVKJGBB-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.30
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107494897) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107494897
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CS)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-10(1-2-11)5(12)3-13/h11,13H,1-4H2
InChIKeyHWADTOYOVKJGBB-UHFFFAOYSA-N
XLogP0.30
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
2,2-difluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 103513893
N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915338
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
CID 107483088
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107494883
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylpropanamide
CID 107494885
N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494898
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494900
N-ethyl-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109885990
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 11105687
N,N-Bis(2-hydroxyethyl)-2-mercaptoacetamide
CID 54417538

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 107494897) is N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CS)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HWADTOYOVKJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)4-10(1-2-11)5(12)3-13/h11,13H,1-4H2.
What are the key properties of N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 217.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).