3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide

C11H23N3OS — CID 43443315

IUPAC3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCSCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H23N3OS/c1-16-10-3-11(15)13-4-2-7-14-8-5-12-6-9-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeyWVFUFOGFOJIECK-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.15
Rot. Bonds7

About 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide

3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 43443315) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID43443315
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCSCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H23N3OS/c1-16-10-3-11(15)13-4-2-7-14-8-5-12-6-9-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeyWVFUFOGFOJIECK-UHFFFAOYSA-N
XLogP0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)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 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide (CID 43443315) is 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide is CSCCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is WVFUFOGFOJIECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-16-10-3-11(15)13-4-2-7-14-8-5-12-6-9-14/h12H,2-10H2,1H3,(H,13,15).
What are the key properties of 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide?
3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 245.39 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 43443315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).