N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO2S — CID 103915449

IUPACN-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-7(2)16-5-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyRWMSKPLQGXCNEX-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.51
Rot. Bonds6

About N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915449) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915449
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-7(2)16-5-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyRWMSKPLQGXCNEX-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 103915449) is N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)SCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RWMSKPLQGXCNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7(2)16-5-8(15)13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 259.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).