(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate

C11H15N3OS2 — CID 75417202

IUPAC(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate
SMILESS=C(SCc1nnc(C2CC2)o1)N1CCCC1
InChIInChI=1S/C11H15N3OS2/c16-11(14-5-1-2-6-14)17-7-9-12-13-10(15-9)8-3-4-8/h8H,1-7H2
InChIKeyNZKRYDKWKMUNMR-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.56
Rot. Bonds3

About (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate (PubChem CID 75417202) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate
PubChem CID75417202
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate
SMILESS=C(SCc1nnc(C2CC2)o1)N1CCCC1
InChIInChI=1S/C11H15N3OS2/c16-11(14-5-1-2-6-14)17-7-9-12-13-10(15-9)8-3-4-8/h8H,1-7H2
InChIKeyNZKRYDKWKMUNMR-UHFFFAOYSA-N
XLogP2.56
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate?
The IUPAC name of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate (CID 75417202) is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate?
The canonical SMILES for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate is S=C(SCc1nnc(C2CC2)o1)N1CCCC1.
What is the InChIKey of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate?
The InChIKey is NZKRYDKWKMUNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c16-11(14-5-1-2-6-14)17-7-9-12-13-10(15-9)8-3-4-8/h8H,1-7H2.
What are the key properties of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate?
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate has a molecular weight of 269.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 75417202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).