(2-oxocyclopentyl) pyrrolidine-1-carbodithioate

C10H15NOS2 — CID 575126

IUPAC(2-oxocyclopentyl) pyrrolidine-1-carbodithioate
SMILESO=C1CCCC1SC(=S)N1CCCC1
InChIInChI=1S/C10H15NOS2/c12-8-4-3-5-9(8)14-10(13)11-6-1-2-7-11/h9H,1-7H2
InChIKeyNCYSRTSQHCYGOP-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.22
Rot. Bonds1

About (2-oxocyclopentyl) pyrrolidine-1-carbodithioate

(2-oxocyclopentyl) pyrrolidine-1-carbodithioate (PubChem CID 575126) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is (2-oxocyclopentyl) pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(2-oxocyclopentyl) pyrrolidine-1-carbodithioate
PubChem CID575126
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name(2-oxocyclopentyl) pyrrolidine-1-carbodithioate
SMILESO=C1CCCC1SC(=S)N1CCCC1
InChIInChI=1S/C10H15NOS2/c12-8-4-3-5-9(8)14-10(13)11-6-1-2-7-11/h9H,1-7H2
InChIKeyNCYSRTSQHCYGOP-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Oxobutyl pyrrolidine-1-carbodithioate
CID 11644212
5-Sulfanylidene-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentan-2-one
CID 53701848
5-Sulfanylidene-5-(1,3-thiazolidin-3-yl)pentan-2-one
CID 87769768
(3-Oxocyclohexyl) pyrrolidine-1-carbodithioate
CID 11608444
2-Oxopropyl pyrrolidine-1-carbodithioate
CID 21209144

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclopentyl) pyrrolidine-1-carbodithioate?
The IUPAC name of (2-oxocyclopentyl) pyrrolidine-1-carbodithioate (CID 575126) is (2-oxocyclopentyl) pyrrolidine-1-carbodithioate.
What is the SMILES notation for (2-oxocyclopentyl) pyrrolidine-1-carbodithioate?
The canonical SMILES for (2-oxocyclopentyl) pyrrolidine-1-carbodithioate is O=C1CCCC1SC(=S)N1CCCC1.
What is the InChIKey of (2-oxocyclopentyl) pyrrolidine-1-carbodithioate?
The InChIKey is NCYSRTSQHCYGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-8-4-3-5-9(8)14-10(13)11-6-1-2-7-11/h9H,1-7H2.
What are the key properties of (2-oxocyclopentyl) pyrrolidine-1-carbodithioate?
(2-oxocyclopentyl) pyrrolidine-1-carbodithioate has a molecular weight of 229.37 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclopentyl) pyrrolidine-1-carbodithioate is sourced from PubChem (CID 575126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).