2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NO2S — CID 113339804

IUPAC2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(16)14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyACDQMCUVQYUNIY-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.90
Rot. Bonds5

About 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113339804) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113339804
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(16)14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyACDQMCUVQYUNIY-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113339804) is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)SCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ACDQMCUVQYUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-9(2,3)17-6-8(16)14(4-5-15)7-10(11,12)13/h15H,4-7H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 273.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113339804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).