3-pyrrolidin-3-ylsulfanylpyrrolidine

C8H16N2S — CID 151720679

IUPAC3-pyrrolidin-3-ylsulfanylpyrrolidine
SMILESC1CC(SC2CCNC2)CN1
InChIInChI=1S/C8H16N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h7-10H,1-6H2
InChIKeyRIMYICWCHBOOIH-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.44
Rot. Bonds2

About 3-pyrrolidin-3-ylsulfanylpyrrolidine

3-pyrrolidin-3-ylsulfanylpyrrolidine (PubChem CID 151720679) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-pyrrolidin-3-ylsulfanylpyrrolidine
PubChem CID151720679
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name3-pyrrolidin-3-ylsulfanylpyrrolidine
SMILESC1CC(SC2CCNC2)CN1
InChIInChI=1S/C8H16N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h7-10H,1-6H2
InChIKeyRIMYICWCHBOOIH-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylsulfanylpyrrolidine?
The IUPAC name of 3-pyrrolidin-3-ylsulfanylpyrrolidine (CID 151720679) is 3-pyrrolidin-3-ylsulfanylpyrrolidine.
What is the SMILES notation for 3-pyrrolidin-3-ylsulfanylpyrrolidine?
The canonical SMILES for 3-pyrrolidin-3-ylsulfanylpyrrolidine is C1CC(SC2CCNC2)CN1.
What is the InChIKey of 3-pyrrolidin-3-ylsulfanylpyrrolidine?
The InChIKey is RIMYICWCHBOOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h7-10H,1-6H2.
What are the key properties of 3-pyrrolidin-3-ylsulfanylpyrrolidine?
3-pyrrolidin-3-ylsulfanylpyrrolidine has a molecular weight of 172.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylsulfanylpyrrolidine is sourced from PubChem (CID 151720679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).