1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide

C12H13F3N2O3S — CID 134584551

IUPAC1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide
SMILESNC(=O)N1CCS(=O)(=O)C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)9-3-1-8(2-4-9)10-7-17(11(16)18)5-6-21(10,19)20/h1-4,10H,5-7H2,(H2,16,18)
InChIKeyQFUDYMWIJJELBA-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.56
Rot. Bonds1

About 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide

1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide (PubChem CID 134584551) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide
PubChem CID134584551
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide
SMILESNC(=O)N1CCS(=O)(=O)C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)9-3-1-8(2-4-9)10-7-17(11(16)18)5-6-21(10,19)20/h1-4,10H,5-7H2,(H2,16,18)
InChIKeyQFUDYMWIJJELBA-UHFFFAOYSA-N
XLogP1.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide (CID 134584551) is 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide is NC(=O)N1CCS(=O)(=O)C(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The InChIKey is QFUDYMWIJJELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c13-12(14,15)9-3-1-8(2-4-9)10-7-17(11(16)18)5-6-21(10,19)20/h1-4,10H,5-7H2,(H2,16,18).
What are the key properties of 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide?
1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-[4-(trifluoromethyl)phenyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 134584551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).