2-pyrrolidin-2-ylsulfanylpyrrolidine

C8H16N2S — CID 21422632

IUPAC2-pyrrolidin-2-ylsulfanylpyrrolidine
SMILESC1CNC(SC2CCCN2)C1
InChIInChI=1S/C8H16N2S/c1-3-7(9-5-1)11-8-4-2-6-10-8/h7-10H,1-6H2
InChIKeySKKKVLIFPRZHKT-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.14
Rot. Bonds2

About 2-pyrrolidin-2-ylsulfanylpyrrolidine

2-pyrrolidin-2-ylsulfanylpyrrolidine (PubChem CID 21422632) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-ylsulfanylpyrrolidine
PubChem CID21422632
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-pyrrolidin-2-ylsulfanylpyrrolidine
SMILESC1CNC(SC2CCCN2)C1
InChIInChI=1S/C8H16N2S/c1-3-7(9-5-1)11-8-4-2-6-10-8/h7-10H,1-6H2
InChIKeySKKKVLIFPRZHKT-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylsulfanylpyrrolidine?
The IUPAC name of 2-pyrrolidin-2-ylsulfanylpyrrolidine (CID 21422632) is 2-pyrrolidin-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-ylsulfanylpyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-ylsulfanylpyrrolidine is C1CNC(SC2CCCN2)C1.
What is the InChIKey of 2-pyrrolidin-2-ylsulfanylpyrrolidine?
The InChIKey is SKKKVLIFPRZHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-7(9-5-1)11-8-4-2-6-10-8/h7-10H,1-6H2.
What are the key properties of 2-pyrrolidin-2-ylsulfanylpyrrolidine?
2-pyrrolidin-2-ylsulfanylpyrrolidine has a molecular weight of 172.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 21422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).