N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide

C9H17N3O3S — CID 76926596

IUPACN'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCS(=O)CC1)C(N)=NO
InChIInChI=1S/C9H17N3O3S/c1-2-7(8(10)11-14)9(13)12-3-5-16(15)6-4-12/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyYUFGLLMLQNTIOO-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.65
Rot. Bonds3

About N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide

N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide (PubChem CID 76926596) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
PubChem CID76926596
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCS(=O)CC1)C(N)=NO
InChIInChI=1S/C9H17N3O3S/c1-2-7(8(10)11-14)9(13)12-3-5-16(15)6-4-12/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyYUFGLLMLQNTIOO-UHFFFAOYSA-N
XLogP-0.65
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.65
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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Related Compounds

N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073204
N'-hydroxy-2-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-N'-hydroxybutanimidamide
CID 76986616
(2S)-2-amino-1-(1-oxo-1,4-thiazepan-4-yl)butan-1-one
CID 130750177
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 76926378
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N'-hydroxybutanimidamide
CID 102727565
2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76925085
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide (CID 76926596) is N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide is CCC(C(=O)N1CCS(=O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide?
The InChIKey is YUFGLLMLQNTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-2-7(8(10)11-14)9(13)12-3-5-16(15)6-4-12/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide?
N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide has a molecular weight of 247.32 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide is sourced from PubChem (CID 76926596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).