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

C12H18N4O3S — CID 136868244

IUPACN'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
SMILESCC1CS(=O)(=O)CCN1Cc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H18N4O3S/c1-9-8-20(18,19)5-4-16(9)7-10-2-3-14-11(6-10)12(13)15-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H2,13,15)
InChIKeyUMXGNRVIILBYMS-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.20
Rot. Bonds3

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

N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide (PubChem CID 136868244) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
PubChem CID136868244
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
SMILESCC1CS(=O)(=O)CCN1Cc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H18N4O3S/c1-9-8-20(18,19)5-4-16(9)7-10-2-3-14-11(6-10)12(13)15-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H2,13,15)
InChIKeyUMXGNRVIILBYMS-UHFFFAOYSA-N
XLogP-0.20
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
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'}

Analyze N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carbothioamide
CID 102883561
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886415
4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136733801
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
3-chloro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
CID 102884244
2-iodo-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
CID 112751047
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
CID 102882858
[5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886414
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883716

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide (CID 136868244) is N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide is CC1CS(=O)(=O)CCN1Cc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is UMXGNRVIILBYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-9-8-20(18,19)5-4-16(9)7-10-2-3-14-11(6-10)12(13)15-17/h2-3,6,9,17H,4-5,7-8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 298.37 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136868244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).