6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide

C15H27N3O3S — CID 121328368

IUPAC6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
SMILESCCCC(C)SC1CC(=O)N(CCCCCC(=O)NN)C1=O
InChIInChI=1S/C15H27N3O3S/c1-3-7-11(2)22-12-10-14(20)18(15(12)21)9-6-4-5-8-13(19)17-16/h11-12H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyOTWDYBLVSIDJKM-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.59
Rot. Bonds10

About 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide

6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide (PubChem CID 121328368) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
PubChem CID121328368
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
SMILESCCCC(C)SC1CC(=O)N(CCCCCC(=O)NN)C1=O
InChIInChI=1S/C15H27N3O3S/c1-3-7-11(2)22-12-10-14(20)18(15(12)21)9-6-4-5-8-13(19)17-16/h11-12H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyOTWDYBLVSIDJKM-UHFFFAOYSA-N
XLogP1.59
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide?
The IUPAC name of 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide (CID 121328368) is 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide?
The canonical SMILES for 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide is CCCC(C)SC1CC(=O)N(CCCCCC(=O)NN)C1=O.
What is the InChIKey of 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide?
The InChIKey is OTWDYBLVSIDJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-3-7-11(2)22-12-10-14(20)18(15(12)21)9-6-4-5-8-13(19)17-16/h11-12H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide?
6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide has a molecular weight of 329.47 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide is sourced from PubChem (CID 121328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).