N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O2S — CID 66421465

IUPACN-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CSCCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-18-4-1-14-8/h8,14,16H,1-7H2
InChIKeyXEBQDWZMKILFLW-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.46
Rot. Bonds5

About N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66421465) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66421465
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CSCCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-18-4-1-14-8/h8,14,16H,1-7H2
InChIKeyXEBQDWZMKILFLW-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66421465) is N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CSCCN1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XEBQDWZMKILFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-18-4-1-14-8/h8,14,16H,1-7H2.
What are the key properties of N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66421465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).