2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide

C6H13N3O3S — CID 43581531

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
SMILESN/C(CN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C6H13N3O3S/c7-6(8-10)5-9-1-3-13(11,12)4-2-9/h10H,1-5H2,(H2,7,8)
InChIKeyPBEHDUQEKCKRKG-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.54
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide (PubChem CID 43581531) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
PubChem CID43581531
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
SMILESN/C(CN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C6H13N3O3S/c7-6(8-10)5-9-1-3-13(11,12)4-2-9/h10H,1-5H2,(H2,7,8)
InChIKeyPBEHDUQEKCKRKG-UHFFFAOYSA-N
XLogP-1.54
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.54
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'}

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide (CID 43581531) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide is N/C(CN1CCS(=O)(=O)CC1)=N\O.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is PBEHDUQEKCKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c7-6(8-10)5-9-1-3-13(11,12)4-2-9/h10H,1-5H2,(H2,7,8).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 207.25 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 43581531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).