N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide

C10H12IN3O3S — CID 79683526

IUPACN'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)c2csc(I)c2)CCO1
InChIInChI=1S/C10H12IN3O3S/c11-8-3-6(5-18-8)10(15)14-1-2-17-7(4-14)9(12)13-16/h3,5,7,16H,1-2,4H2,(H2,12,13)
InChIKeyMBULZXHNWLELEK-UHFFFAOYSA-N
MW381.20 g/mol
LogP0.94
Rot. Bonds2

About N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide

N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide (PubChem CID 79683526) has the molecular formula C10H12IN3O3S and a molecular weight of 381.20 g/mol. Its IUPAC name is N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
PubChem CID79683526
Molecular FormulaC10H12IN3O3S
Molecular Weight381.20 g/mol
Exact Mass380.96
IUPAC NameN'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)c2csc(I)c2)CCO1
InChIInChI=1S/C10H12IN3O3S/c11-8-3-6(5-18-8)10(15)14-1-2-17-7(4-14)9(12)13-16/h3,5,7,16H,1-2,4H2,(H2,12,13)
InChIKeyMBULZXHNWLELEK-UHFFFAOYSA-N
XLogP0.94
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 50.94
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': 'iodine', '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

4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide
CID 79693855
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
CID 79680718
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide (CID 79683526) is N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide is NC(=NO)C1CN(C(=O)c2csc(I)c2)CCO1.
What is the InChIKey of N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide?
The InChIKey is MBULZXHNWLELEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O3S/c11-8-3-6(5-18-8)10(15)14-1-2-17-7(4-14)9(12)13-16/h3,5,7,16H,1-2,4H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide has a molecular weight of 381.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79683526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).