N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide

C11H16N4O3S — CID 136868237

IUPACN'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
SMILESCC1CS(=O)(=O)CCN1c1cccc(/C(N)=N/O)n1
InChIInChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)10-4-2-3-9(13-10)11(12)14-16/h2-4,8,16H,5-7H2,1H3,(H2,12,14)
InChIKeyUTGJPJVFZXUJCX-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.20
Rot. Bonds2

About N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide

N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide (PubChem CID 136868237) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
PubChem CID136868237
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
SMILESCC1CS(=O)(=O)CCN1c1cccc(/C(N)=N/O)n1
InChIInChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)10-4-2-3-9(13-10)11(12)14-16/h2-4,8,16H,5-7H2,1H3,(H2,12,14)
InChIKeyUTGJPJVFZXUJCX-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

4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883716
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726404
6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883784
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285
5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
CID 114090699
6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
CID 137133766
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102883966
6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 115313380

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide (CID 136868237) is N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide is CC1CS(=O)(=O)CCN1c1cccc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide?
The InChIKey is UTGJPJVFZXUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8-7-19(17,18)6-5-15(8)10-4-2-3-9(13-10)11(12)14-16/h2-4,8,16H,5-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide?
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-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-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 136868237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).