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

C9H19N3O3S — CID 102883753

IUPACN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
SMILESCCC(C(N)=NO)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19N3O3S/c1-3-8(9(10)11-13)12-4-5-16(14,15)6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyVKSUGUQKRBKGJA-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.37
Rot. Bonds3

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

N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide (PubChem CID 102883753) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
PubChem CID102883753
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
SMILESCCC(C(N)=NO)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19N3O3S/c1-3-8(9(10)11-13)12-4-5-16(14,15)6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyVKSUGUQKRBKGJA-UHFFFAOYSA-N
XLogP-0.37
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.37
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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Related Compounds

ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015839
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
N'-hydroxy-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanimidamide
CID 102883736
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide
CID 102781445
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxybutanimidamide
CID 76915663
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide (CID 102883753) is N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide is CCC(C(N)=NO)N1CCS(=O)(=O)CC1C.
What is the InChIKey of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide?
The InChIKey is VKSUGUQKRBKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-3-8(9(10)11-13)12-4-5-16(14,15)6-7(12)2/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide?
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide has a molecular weight of 249.34 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide is sourced from PubChem (CID 102883753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).