3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione

C8H14N2S2 — CID 5106601

IUPAC3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CN1CCCC1
InChIInChI=1S/C8H14N2S2/c11-8-10(5-6-12-8)7-9-3-1-2-4-9/h1-7H2
InChIKeyRJBUWWWKRPBMCE-UHFFFAOYSA-N
MW202.35 g/mol
LogP1.37
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione

3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione (PubChem CID 5106601) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione
PubChem CID5106601
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CN1CCCC1
InChIInChI=1S/C8H14N2S2/c11-8-10(5-6-12-8)7-9-3-1-2-4-9/h1-7H2
InChIKeyRJBUWWWKRPBMCE-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 51.37
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 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione (CID 5106601) is 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione is S=C1SCCN1CN1CCCC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione?
The InChIKey is RJBUWWWKRPBMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c11-8-10(5-6-12-8)7-9-3-1-2-4-9/h1-7H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione?
3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione has a molecular weight of 202.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 5106601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).