3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide

C8H17N3O3S — CID 43581536

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CCS(=O)(=O)CC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O3S/c1-7(8(9)10-12)6-11-2-4-15(13,14)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyNEOLDQCYHMCKDQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.90
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43581536) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID43581536
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CCS(=O)(=O)CC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O3S/c1-7(8(9)10-12)6-11-2-4-15(13,14)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyNEOLDQCYHMCKDQ-UHFFFAOYSA-N
XLogP-0.90
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.90
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-2-methylpropanimidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide (CID 43581536) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide is CC(CN1CCS(=O)(=O)CC1)/C(N)=N/O.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is NEOLDQCYHMCKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-7(8(9)10-12)6-11-2-4-15(13,14)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 235.31 g/mol, XLogP of -0.90, 3 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-2-methylpropanimidamide is sourced from PubChem (CID 43581536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).