(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate

C11H15NO3S — CID 141008547

IUPAC(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate
SMILESO=C(ON1C(=O)CCC1=S)C1CCCCC1
InChIInChI=1S/C11H15NO3S/c13-9-6-7-10(16)12(9)15-11(14)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyGZEVYRSJHNIACR-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.97
Rot. Bonds2

About (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate

(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate (PubChem CID 141008547) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate
PubChem CID141008547
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate
SMILESO=C(ON1C(=O)CCC1=S)C1CCCCC1
InChIInChI=1S/C11H15NO3S/c13-9-6-7-10(16)12(9)15-11(14)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyGZEVYRSJHNIACR-UHFFFAOYSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
CID 141124175
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
cyclooctanecarboperoxoic acid
CID 90238548
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclooctyl-3-oxopropoxy)ethoxy]propanoate
CID 145439337
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
2-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)oxypropane-1,2,3-tricarboxylic acid
CID 174928480
(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 794147
1-O-(2-hydroxyethyl) 6-O-(2-oxo-5-sulfanylidenepyrrolidin-1-yl) hexanedioate
CID 87744435
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
CID 138457388
(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 71744697

Frequently Asked Questions

What is the IUPAC name of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate?
The IUPAC name of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate (CID 141008547) is (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate.
What is the SMILES notation for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate?
The canonical SMILES for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate is O=C(ON1C(=O)CCC1=S)C1CCCCC1.
What is the InChIKey of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate?
The InChIKey is GZEVYRSJHNIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-9-6-7-10(16)12(9)15-11(14)8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate?
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate has a molecular weight of 241.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5-sulfanylidenepyrrolidin-1-yl) cyclohexanecarboxylate is sourced from PubChem (CID 141008547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).