3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide

C7H13N3O4S — CID 43581927

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C7H13N3O4S/c8-6(9-12)5-7(11)10-1-3-15(13,14)4-2-10/h12H,1-5H2,(H2,8,9)
InChIKeyCDVDOBBYBIXXJP-UHFFFAOYSA-N
MW235.26 g/mol
LogP-1.62
Rot. Bonds2

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide (PubChem CID 43581927) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide
PubChem CID43581927
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C7H13N3O4S/c8-6(9-12)5-7(11)10-1-3-15(13,14)4-2-10/h12H,1-5H2,(H2,8,9)
InChIKeyCDVDOBBYBIXXJP-UHFFFAOYSA-N
XLogP-1.62
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.62
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 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide (CID 43581927) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide is N/C(CC(=O)N1CCS(=O)(=O)CC1)=N\O.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is CDVDOBBYBIXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c8-6(9-12)5-7(11)10-1-3-15(13,14)4-2-10/h12H,1-5H2,(H2,8,9).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 235.26 g/mol, XLogP of -1.62, 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-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 43581927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).