[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone

C8H13NO2S2 — CID 134926279

IUPAC[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1SCC[S@]1=O)N1CCCC1
InChIInChI=1S/C8H13NO2S2/c10-7(9-3-1-2-4-9)8-12-5-6-13(8)11/h8H,1-6H2/t8-,13+/m0/s1
InChIKeyYEXQSZUDUGDSPN-ISVAXAHUSA-N
MW219.33 g/mol
LogP0.43
Rot. Bonds1

About [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone

[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134926279) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134926279
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1SCC[S@]1=O)N1CCCC1
InChIInChI=1S/C8H13NO2S2/c10-7(9-3-1-2-4-9)8-12-5-6-13(8)11/h8H,1-6H2/t8-,13+/m0/s1
InChIKeyYEXQSZUDUGDSPN-ISVAXAHUSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone (CID 134926279) is [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1SCC[S@]1=O)N1CCCC1.
What is the InChIKey of [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YEXQSZUDUGDSPN-ISVAXAHUSA-N. The full InChI is InChI=1S/C8H13NO2S2/c10-7(9-3-1-2-4-9)8-12-5-6-13(8)11/h8H,1-6H2/t8-,13+/m0/s1.
What are the key properties of [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone?
[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 219.33 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134926279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).