3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide

C12H15N3O4S — CID 43581926

IUPAC3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H15N3O4S/c13-11(14-17)9-2-1-3-10(8-9)12(16)15-4-6-20(18,19)7-5-15/h1-3,8,17H,4-7H2,(H2,13,14)
InChIKeyYMBGHUHDXYISDZ-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.35
Rot. Bonds2

About 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide

3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43581926) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43581926
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C12H15N3O4S/c13-11(14-17)9-2-1-3-10(8-9)12(16)15-4-6-20(18,19)7-5-15/h1-3,8,17H,4-7H2,(H2,13,14)
InChIKeyYMBGHUHDXYISDZ-UHFFFAOYSA-N
XLogP-0.35
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.35
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
3-[3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906794
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(2-fluorophenyl)phenyl]methanone
CID 131950577
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581074
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(2-amino-1,3-benzothiazol-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 65349242
3-(azecane-1-carbonyl)benzamide
CID 66696565

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 43581926) is 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(C(=O)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YMBGHUHDXYISDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c13-11(14-17)9-2-1-3-10(8-9)12(16)15-4-6-20(18,19)7-5-15/h1-3,8,17H,4-7H2,(H2,13,14).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.34 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43581926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).