2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O4S — CID 80520104

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-20(18,19)4-1-14-8/h8,14,16H,1-7H2
InChIKeyHBCZNTJRSDBADF-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.85
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80520104) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80520104
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-20(18,19)4-1-14-8/h8,14,16H,1-7H2
InChIKeyHBCZNTJRSDBADF-UHFFFAOYSA-N
XLogP-0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80520104) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HBCZNTJRSDBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c11-10(12,13)7-15(2-3-16)9(17)5-8-6-20(18,19)4-1-14-8/h8,14,16H,1-7H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 318.32 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80520104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).