6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide

C11H16N4O2S — CID 102883784

IUPAC6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCS(=O)(=O)CC2C)nc1
InChIInChI=1S/C11H16N4O2S/c1-8-7-18(16,17)5-4-15(8)10-3-2-9(6-14-10)11(12)13/h2-3,6,8H,4-5,7H2,1H3,(H3,12,13)
InChIKeyQABIRBQVMUCTPY-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.01
Rot. Bonds2

About 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide

6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide (PubChem CID 102883784) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
PubChem CID102883784
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCS(=O)(=O)CC2C)nc1
InChIInChI=1S/C11H16N4O2S/c1-8-7-18(16,17)5-4-15(8)10-3-2-9(6-14-10)11(12)13/h2-3,6,8H,4-5,7H2,1H3,(H3,12,13)
InChIKeyQABIRBQVMUCTPY-UHFFFAOYSA-N
XLogP-0.01
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)pyridine-3-carboximidamide?
The IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide (CID 102883784) is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCS(=O)(=O)CC2C)nc1.
What is the InChIKey of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
The InChIKey is QABIRBQVMUCTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-7-18(16,17)5-4-15(8)10-3-2-9(6-14-10)11(12)13/h2-3,6,8H,4-5,7H2,1H3,(H3,12,13).
What are the key properties of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide has a molecular weight of 268.34 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 102883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).