2-(1,3-dithiolan-2-ylmethyl)pyrrolidine

C8H15NS2 — CID 11063203

IUPAC2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
SMILESC1CNC(CC2SCCS2)C1
InChIInChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2
InChIKeyPNEDJSSEZZRMJY-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.93
Rot. Bonds2

About 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine

2-(1,3-dithiolan-2-ylmethyl)pyrrolidine (PubChem CID 11063203) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
PubChem CID11063203
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
SMILESC1CNC(CC2SCCS2)C1
InChIInChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2
InChIKeyPNEDJSSEZZRMJY-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine (CID 11063203) is 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine is C1CNC(CC2SCCS2)C1.
What is the InChIKey of 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The InChIKey is PNEDJSSEZZRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2.
What are the key properties of 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
2-(1,3-dithiolan-2-ylmethyl)pyrrolidine has a molecular weight of 189.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 11063203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).