[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C11H15F3N4O2S — CID 102887939

IUPAC[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H15F3N4O2S/c1-7-6-21(19,20)3-2-18(7)10-5-8(11(12,13)14)4-9(16-10)17-15/h4-5,7H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyJCBPKFCOFMIRBD-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.01
Rot. Bonds2

About [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102887939) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102887939
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H15F3N4O2S/c1-7-6-21(19,20)3-2-18(7)10-5-8(11(12,13)14)4-9(16-10)17-15/h4-5,7H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyJCBPKFCOFMIRBD-UHFFFAOYSA-N
XLogP1.01
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102887939) is [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is CC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is JCBPKFCOFMIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-7-6-21(19,20)3-2-18(7)10-5-8(11(12,13)14)4-9(16-10)17-15/h4-5,7H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 324.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102887939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).