N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide

C10H12ClN3O3S — CID 69103994

IUPACN-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
SMILESNN(C(=O)c1sccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)14(12)10(16)13-2-4-17-5-3-13/h1,6H,2-5,12H2
InChIKeyCEFIPAUXNHBPIQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.17
Rot. Bonds1

About N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide

N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide (PubChem CID 69103994) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide.

Molecular Properties

Compound NameN-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
PubChem CID69103994
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC NameN-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
SMILESNN(C(=O)c1sccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)14(12)10(16)13-2-4-17-5-3-13/h1,6H,2-5,12H2
InChIKeyCEFIPAUXNHBPIQ-UHFFFAOYSA-N
XLogP1.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide?
The IUPAC name of N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide (CID 69103994) is N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide.
What is the SMILES notation for N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide?
The canonical SMILES for N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide is NN(C(=O)c1sccc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide?
The InChIKey is CEFIPAUXNHBPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)14(12)10(16)13-2-4-17-5-3-13/h1,6H,2-5,12H2.
What are the key properties of N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide?
N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide has a molecular weight of 289.74 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide is sourced from PubChem (CID 69103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).