2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide

C9H19N3O4S — CID 114266293

IUPAC2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C9H19N3O4S/c1-8(9(10)11-13)16-5-2-12-3-6-17(14,15)7-4-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyVMUVDQOYIHFPFL-UHFFFAOYSA-N
MW265.33 g/mol
LogP-1.13
Rot. Bonds5

About 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide

2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide (PubChem CID 114266293) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide
PubChem CID114266293
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C9H19N3O4S/c1-8(9(10)11-13)16-5-2-12-3-6-17(14,15)7-4-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyVMUVDQOYIHFPFL-UHFFFAOYSA-N
XLogP-1.13
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide (CID 114266293) is 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide is CC(OCCN1CCS(=O)(=O)CC1)C(N)=NO.
What is the InChIKey of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide?
The InChIKey is VMUVDQOYIHFPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-8(9(10)11-13)16-5-2-12-3-6-17(14,15)7-4-12/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide?
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide has a molecular weight of 265.33 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 114266293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).