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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Related Compounds

6-(2,5-dioxo-3-undecan-6-ylsulfanylpyrrolidin-1-yl)-N-pentadecan-8-ylhexanamide
CID 154980644
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
2-[3-(3-hexan-2-ylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 172565705
methane;1-(7-methyl-6-oxooctyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 167621427
N-tert-butyl-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 158085443
CID 166157798
CID 166157798
3-(1-iodopropylsulfanyl)-1-(6-oxoheptyl)pyrrolidine-2,5-dione
CID 126491665
6-(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl)-N-[2-(2-methylpropylsulfonyl)ethyl]hexanamide
CID 118360441
6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
CID 144887232
1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
CID 155453161
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl)-N-methylhexanamide
CID 143795455

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).