1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide

C7H11F3N2O3S — CID 115608977

IUPAC1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11F3N2O3S/c8-7(9,10)5-11-6(13)12-1-3-16(14,15)4-2-12/h1-5H2,(H,11,13)
InChIKeyDXWOLXDHRCFCIR-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.01
Rot. Bonds1

About 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide

1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide (PubChem CID 115608977) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide
PubChem CID115608977
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11F3N2O3S/c8-7(9,10)5-11-6(13)12-1-3-16(14,15)4-2-12/h1-5H2,(H,11,13)
InChIKeyDXWOLXDHRCFCIR-UHFFFAOYSA-N
XLogP-0.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide (CID 115608977) is 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide is O=C(NCC(F)(F)F)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide?
The InChIKey is DXWOLXDHRCFCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c8-7(9,10)5-11-6(13)12-1-3-16(14,15)4-2-12/h1-5H2,(H,11,13).
What are the key properties of 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide?
1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide has a molecular weight of 260.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 115608977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).