1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one

C16H24N2O2S2 — CID 88840891

IUPAC1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C16H24N2O2S2/c19-13-7-9-15(21)17(13)11-5-3-1-2-4-6-12-18-14(20)8-10-16(18)22/h1-12H2
InChIKeyFDXLLCCNJMPXPJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.23
Rot. Bonds9

About 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one

1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one (PubChem CID 88840891) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one
PubChem CID88840891
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC Name1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C16H24N2O2S2/c19-13-7-9-15(21)17(13)11-5-3-1-2-4-6-12-18-14(20)8-10-16(18)22/h1-12H2
InChIKeyFDXLLCCNJMPXPJ-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dodecamethylenedi(2-pyrrolidone)
CID 24740754
1,4-Bis(2-sulfanylidenepyrrolidin-1-yl)butane-1,4-dione
CID 763054
1,10-Bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione
CID 3089046
1-[6-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)hexyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519323
1-[7-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)heptyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519328
1-[8-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)octyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519338
1-[10-(2-Oxopyrrolidin-1-yl)decyl]pyrrolidin-2-one
CID 53800964
1-Nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one
CID 69853009
1-[8-(2-Oxopyrrolidin-1-yl)octyl]pyrrolidin-2-one
CID 85608703
1-Dodecyl-5-sulfanylidenepyrrolidin-2-one
CID 86249937
1-[4-(2-Oxo-5-sulfanylidenepyrrolidin-1-yl)butyl]-5-sulfanylidenepyrrolidin-2-one
CID 88840736
1-[3-(2-Oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one
CID 88840816

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one (CID 88840891) is 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one is O=C1CCC(=S)N1CCCCCCCCN1C(=O)CCC1=S.
What is the InChIKey of 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is FDXLLCCNJMPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c19-13-7-9-15(21)17(13)11-5-3-1-2-4-6-12-18-14(20)8-10-16(18)22/h1-12H2.
What are the key properties of 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one?
1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 340.51 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)octyl]-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 88840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).