N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide

C12H17N3O3S — CID 2337428

IUPACN'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1cccs1
InChIInChI=1S/C12H17N3O3S/c16-11(3-4-15-5-7-18-8-6-15)13-14-12(17)10-2-1-9-19-10/h1-2,9H,3-8H2,(H,13,16)(H,14,17)
InChIKeyVIFUMGFXIVKZKQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.23
Rot. Bonds4

About N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide

N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 2337428) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide
PubChem CID2337428
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1cccs1
InChIInChI=1S/C12H17N3O3S/c16-11(3-4-15-5-7-18-8-6-15)13-14-12(17)10-2-1-9-19-10/h1-2,9H,3-8H2,(H,13,16)(H,14,17)
InChIKeyVIFUMGFXIVKZKQ-UHFFFAOYSA-N
XLogP0.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide (CID 2337428) is N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide is O=C(CCN1CCOCC1)NNC(=O)c1cccs1.
What is the InChIKey of N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is VIFUMGFXIVKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-11(3-4-15-5-7-18-8-6-15)13-14-12(17)10-2-1-9-19-10/h1-2,9H,3-8H2,(H,13,16)(H,14,17).
What are the key properties of N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide?
N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 283.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2337428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).