N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide

C10H19N3O4S — CID 18918641

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O4S/c1-2-9(14)12-18(16,17)8-3-10(15)13-6-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,14)
InChIKeyVFOSNDGWPUJOTH-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.34
Rot. Bonds5

About N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide

N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide (PubChem CID 18918641) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide
PubChem CID18918641
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O4S/c1-2-9(14)12-18(16,17)8-3-10(15)13-6-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,14)
InChIKeyVFOSNDGWPUJOTH-UHFFFAOYSA-N
XLogP-1.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide (CID 18918641) is N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide is CCC(=O)NS(=O)(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide?
The InChIKey is VFOSNDGWPUJOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-2-9(14)12-18(16,17)8-3-10(15)13-6-4-11-5-7-13/h11H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide?
N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide has a molecular weight of 277.35 g/mol, XLogP of -1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide is sourced from PubChem (CID 18918641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).