1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione

C10H16N2OS2 — CID 743345

IUPAC1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione
SMILESS=C(CN1CCCC1=S)N1CCOCC1
InChIInChI=1S/C10H16N2OS2/c14-9-2-1-3-12(9)8-10(15)11-4-6-13-7-5-11/h1-8H2
InChIKeyKRKCDFNOMHMFSK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.07
Rot. Bonds2

About 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione

1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione (PubChem CID 743345) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione
PubChem CID743345
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione
SMILESS=C(CN1CCCC1=S)N1CCOCC1
InChIInChI=1S/C10H16N2OS2/c14-9-2-1-3-12(9)8-10(15)11-4-6-13-7-5-11/h1-8H2
InChIKeyKRKCDFNOMHMFSK-UHFFFAOYSA-N
XLogP1.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione?
The IUPAC name of 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione (CID 743345) is 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione?
The canonical SMILES for 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione is S=C(CN1CCCC1=S)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione?
The InChIKey is KRKCDFNOMHMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c14-9-2-1-3-12(9)8-10(15)11-4-6-13-7-5-11/h1-8H2.
What are the key properties of 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione?
1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione has a molecular weight of 244.38 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione is sourced from PubChem (CID 743345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).