4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide

C8H17N3O3S — CID 43581532

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C8H17N3O3S/c9-8(10-12)2-1-3-11-4-6-15(13,14)7-5-11/h12H,1-7H2,(H2,9,10)
InChIKeyXWSDLGQOFJSOEA-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.76
Rot. Bonds4

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

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide (PubChem CID 43581532) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
PubChem CID43581532
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C8H17N3O3S/c9-8(10-12)2-1-3-11-4-6-15(13,14)7-5-11/h12H,1-7H2,(H2,9,10)
InChIKeyXWSDLGQOFJSOEA-UHFFFAOYSA-N
XLogP-0.76
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.76
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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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide (CID 43581532) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide is N/C(CCCN1CCS(=O)(=O)CC1)=N\O.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide?
The InChIKey is XWSDLGQOFJSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c9-8(10-12)2-1-3-11-4-6-15(13,14)7-5-11/h12H,1-7H2,(H2,9,10).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide has a molecular weight of 235.31 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 43581532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).