N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide

C8H17N3O2S — CID 109375800

IUPACN'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide
SMILESCC(C/C(N)=N/O)N1CCS(=O)CC1
InChIInChI=1S/C8H17N3O2S/c1-7(6-8(9)10-12)11-2-4-14(13)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyIBZSRHIMKNAOAN-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.42
Rot. Bonds3

About N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide

N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide (PubChem CID 109375800) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide
PubChem CID109375800
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide
SMILESCC(C/C(N)=N/O)N1CCS(=O)CC1
InChIInChI=1S/C8H17N3O2S/c1-7(6-8(9)10-12)11-2-4-14(13)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyIBZSRHIMKNAOAN-UHFFFAOYSA-N
XLogP-0.42
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide (CID 109375800) is N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide is CC(C/C(N)=N/O)N1CCS(=O)CC1.
What is the InChIKey of N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide?
The InChIKey is IBZSRHIMKNAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7(6-8(9)10-12)11-2-4-14(13)5-3-11/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide?
N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide has a molecular weight of 219.31 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide is sourced from PubChem (CID 109375800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).