1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine

C8H16N2O2S — CID 96509377

IUPAC1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
SMILESO=S(=O)([C@@H]1CCNC1)N1CCCC1
InChIInChI=1S/C8H16N2O2S/c11-13(12,8-3-4-9-7-8)10-5-1-2-6-10/h8-9H,1-7H2/t8-/m1/s1
InChIKeyYSPQEAFKBPVJKI-MRVPVSSYSA-N
MW204.29 g/mol
LogP-0.23
Rot. Bonds2

About 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine

1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine (PubChem CID 96509377) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
PubChem CID96509377
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
SMILESO=S(=O)([C@@H]1CCNC1)N1CCCC1
InChIInChI=1S/C8H16N2O2S/c11-13(12,8-3-4-9-7-8)10-5-1-2-6-10/h8-9H,1-7H2/t8-/m1/s1
InChIKeyYSPQEAFKBPVJKI-MRVPVSSYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine?
The IUPAC name of 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine (CID 96509377) is 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine?
The canonical SMILES for 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine is O=S(=O)([C@@H]1CCNC1)N1CCCC1.
What is the InChIKey of 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine?
The InChIKey is YSPQEAFKBPVJKI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c11-13(12,8-3-4-9-7-8)10-5-1-2-6-10/h8-9H,1-7H2/t8-/m1/s1.
What are the key properties of 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine?
1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine has a molecular weight of 204.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine is sourced from PubChem (CID 96509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).