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

C11H15N3O3S — CID 79680609

IUPACN'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
SMILESCc1ccc(C(=O)N2CCOC(C(N)=NO)C2)s1
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(18-7)11(15)14-4-5-17-8(6-14)10(12)13-16/h2-3,8,16H,4-6H2,1H3,(H2,12,13)
InChIKeyZXQHINVDHDGZJH-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.64
Rot. Bonds2

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

N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide (PubChem CID 79680609) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
PubChem CID79680609
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
SMILESCc1ccc(C(=O)N2CCOC(C(N)=NO)C2)s1
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(18-7)11(15)14-4-5-17-8(6-14)10(12)13-16/h2-3,8,16H,4-6H2,1H3,(H2,12,13)
InChIKeyZXQHINVDHDGZJH-UHFFFAOYSA-N
XLogP0.64
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.64
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

N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
CID 79683526
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide (CID 79680609) is N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide is Cc1ccc(C(=O)N2CCOC(C(N)=NO)C2)s1.
What is the InChIKey of N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide?
The InChIKey is ZXQHINVDHDGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-2-3-9(18-7)11(15)14-4-5-17-8(6-14)10(12)13-16/h2-3,8,16H,4-6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide has a molecular weight of 269.33 g/mol, XLogP of 0.64, 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-methylthiophene-2-carbonyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79680609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).