1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one

C14H20N2O2S2 — CID 88841225

IUPAC1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C14H20N2O2S2/c17-11-5-7-13(19)15(11)9-3-1-2-4-10-16-12(18)6-8-14(16)20/h1-10H2
InChIKeyNQCIDUKUTGPQMZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.45
Rot. Bonds7

About 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one

1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one (PubChem CID 88841225) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one
PubChem CID88841225
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C14H20N2O2S2/c17-11-5-7-13(19)15(11)9-3-1-2-4-10-16-12(18)6-8-14(16)20/h1-10H2
InChIKeyNQCIDUKUTGPQMZ-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.45
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

1-dodecyl-5-sulfanylidenepyrrolidin-2-one
CID 86249937
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
1-[6,6-bis(sulfanyl)hexyl]pyrrolidine-2,5-dione
CID 87475138
1-(4-methylsulfonylbut-3-enyl)-5-sulfanylidenepyrrolidin-2-one
CID 71377139
1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086
1-undecylpiperidine-2,6-dione
CID 91705281
1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 129291336
1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
CID 164683801
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
1-(4-iodobutyl)azepane-2,7-dione
CID 139913177
3-[4-(2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl)butyl]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 10313955
(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 171475250

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one (CID 88841225) is 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one is O=C1CCC(=S)N1CCCCCCN1C(=O)CCC1=S.
What is the InChIKey of 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is NQCIDUKUTGPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-11-5-7-13(19)15(11)9-3-1-2-4-10-16-12(18)6-8-14(16)20/h1-10H2.
What are the key properties of 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one?
1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 312.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)hexyl]-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 88841225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).