2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine

C13H24N2S — CID 107133151

IUPAC2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
SMILESC1CNC(C2CCCN2CC2CCSC2)C1
InChIInChI=1S/C13H24N2S/c1-3-12(14-6-1)13-4-2-7-15(13)9-11-5-8-16-10-11/h11-14H,1-10H2
InChIKeyGONFOIXPVBGYAK-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.96
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine

2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine (PubChem CID 107133151) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
PubChem CID107133151
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
SMILESC1CNC(C2CCCN2CC2CCSC2)C1
InChIInChI=1S/C13H24N2S/c1-3-12(14-6-1)13-4-2-7-15(13)9-11-5-8-16-10-11/h11-14H,1-10H2
InChIKeyGONFOIXPVBGYAK-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine (CID 107133151) is 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine is C1CNC(C2CCCN2CC2CCSC2)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine?
The InChIKey is GONFOIXPVBGYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-12(14-6-1)13-4-2-7-15(13)9-11-5-8-16-10-11/h11-14H,1-10H2.
What are the key properties of 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine?
2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine has a molecular weight of 240.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 107133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).