2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H17F3N2O4S — CID 80520789

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-19-3-1-15-9(16)5-8-6-20(17,18)4-2-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyGCKJTBFCRDOOKB-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.54
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 80520789) 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-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID80520789
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-19-3-1-15-9(16)5-8-6-20(17,18)4-2-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyGCKJTBFCRDOOKB-UHFFFAOYSA-N
XLogP-0.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 80520789) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is O=C(CC1CS(=O)(=O)CCN1)NCCOCC(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is GCKJTBFCRDOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c11-10(12,13)7-19-3-1-15-9(16)5-8-6-20(17,18)4-2-14-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 318.32 g/mol, XLogP of -0.54, 6 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-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 80520789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).