2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide

C12H21N3OS — CID 106325288

IUPAC2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCSCC1)=C1CNC1
InChIInChI=1S/C12H21N3OS/c1-10(11-8-13-9-11)12(16)14-2-3-15-4-6-17-7-5-15/h13H,2-9H2,1H3,(H,14,16)
InChIKeyNQBIOBJELSQGGC-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.07
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide

2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide (PubChem CID 106325288) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide
PubChem CID106325288
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCSCC1)=C1CNC1
InChIInChI=1S/C12H21N3OS/c1-10(11-8-13-9-11)12(16)14-2-3-15-4-6-17-7-5-15/h13H,2-9H2,1H3,(H,14,16)
InChIKeyNQBIOBJELSQGGC-UHFFFAOYSA-N
XLogP0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide (CID 106325288) is 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide is CC(C(=O)NCCN1CCSCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide?
The InChIKey is NQBIOBJELSQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10(11-8-13-9-11)12(16)14-2-3-15-4-6-17-7-5-15/h13H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide has a molecular weight of 255.39 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-thiomorpholin-4-ylethyl)propanamide is sourced from PubChem (CID 106325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).