N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide

C11H16N4O3S — CID 102883716

IUPACN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
SMILESCC1CS(=O)(=O)CCN1c1ncccc1/C(N)=N/O
InChIInChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)11-9(10(12)14-16)3-2-4-13-11/h2-4,8,16H,5-7H2,1H3,(H2,12,14)
InChIKeyZNNLQLGBVKXGAL-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.20
Rot. Bonds2

About N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide

N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide (PubChem CID 102883716) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
PubChem CID102883716
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
SMILESCC1CS(=O)(=O)CCN1c1ncccc1/C(N)=N/O
InChIInChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)11-9(10(12)14-16)3-2-4-13-11/h2-4,8,16H,5-7H2,1H3,(H2,12,14)
InChIKeyZNNLQLGBVKXGAL-UHFFFAOYSA-N
XLogP-0.20
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77077430
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboximidamide
CID 79937813
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
CID 102883786
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77020684
N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24698019
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24693412
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide (CID 102883716) is N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide is CC1CS(=O)(=O)CCN1c1ncccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
The InChIKey is ZNNLQLGBVKXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)11-9(10(12)14-16)3-2-4-13-11/h2-4,8,16H,5-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide?
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide has a molecular weight of 284.34 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 102883716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).