N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide

C10H17N3O3S — CID 80597473

IUPACN'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H17N3O3S/c11-8(12-15)10(2-1-3-10)9(14)13-4-6-17(16)7-5-13/h15H,1-7H2,(H2,11,12)
InChIKeyWBAWRXVBIWXTES-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.51
Rot. Bonds2

About N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide

N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 80597473) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
PubChem CID80597473
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H17N3O3S/c11-8(12-15)10(2-1-3-10)9(14)13-4-6-17(16)7-5-13/h15H,1-7H2,(H2,11,12)
InChIKeyWBAWRXVBIWXTES-UHFFFAOYSA-N
XLogP-0.51
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.51
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-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921074
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591108
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
N'-hydroxy-1-(3-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77066461
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide (CID 80597473) is N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCS(=O)CC2)CCC1.
What is the InChIKey of N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is WBAWRXVBIWXTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-8(12-15)10(2-1-3-10)9(14)13-4-6-17(16)7-5-13/h15H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 259.33 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 80597473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).