2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide

C14H29N3O3S — CID 119391501

IUPAC2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCCCCS(=O)(=O)CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-2-3-4-12-21(19,20)13-14(18)16-6-5-9-17-10-7-15-8-11-17/h15H,2-13H2,1H3,(H,16,18)
InChIKeyFRZMKTJIXSNAGC-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.00
Rot. Bonds10

About 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide

2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119391501) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119391501
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCCCCS(=O)(=O)CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H29N3O3S/c1-2-3-4-12-21(19,20)13-14(18)16-6-5-9-17-10-7-15-8-11-17/h15H,2-13H2,1H3,(H,16,18)
InChIKeyFRZMKTJIXSNAGC-UHFFFAOYSA-N
XLogP0.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-decylsulfonylpropyl)piperazine
CID 150001783
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
1-tricosylpiperazine
CID 130183651
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
ethane;1-octylpiperazine
CID 144711845

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119391501) is 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide is CCCCCS(=O)(=O)CC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is FRZMKTJIXSNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-2-3-4-12-21(19,20)13-14(18)16-6-5-9-17-10-7-15-8-11-17/h15H,2-13H2,1H3,(H,16,18).
What are the key properties of 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 319.47 g/mol, XLogP of 0.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119391501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).