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

C10H12ClN3O3S — CID 174484167

IUPACN'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
SMILESO=C(NNC(=O)N1CCOCC1)c1sccc1Cl
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)12-13-10(16)14-2-4-17-5-3-14/h1,6H,2-5H2,(H,12,15)(H,13,16)
InChIKeyNXKUMXCABCNKGS-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.09
Rot. Bonds1

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

N'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide (PubChem CID 174484167) 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 CID174484167
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC NameN'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
SMILESO=C(NNC(=O)N1CCOCC1)c1sccc1Cl
InChIInChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)12-13-10(16)14-2-4-17-5-3-14/h1,6H,2-5H2,(H,12,15)(H,13,16)
InChIKeyNXKUMXCABCNKGS-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 174484167) 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 O=C(NNC(=O)N1CCOCC1)c1sccc1Cl.
What is the InChIKey of N'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide?
The InChIKey is NXKUMXCABCNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-7-1-6-18-8(7)9(15)12-13-10(16)14-2-4-17-5-3-14/h1,6H,2-5H2,(H,12,15)(H,13,16).
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 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 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 174484167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).