(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate

C8H11NO7S — CID 54485637

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
SMILESCS(=O)(=O)CCOC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO7S/c1-17(13,14)5-4-15-8(12)16-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3
InChIKeyXSBYOJSNPYJRTG-UHFFFAOYSA-N
MW265.24 g/mol
LogP-0.49
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate

(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate (PubChem CID 54485637) has the molecular formula C8H11NO7S and a molecular weight of 265.24 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
PubChem CID54485637
Molecular FormulaC8H11NO7S
Molecular Weight265.24 g/mol
Exact Mass265.03
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
SMILESCS(=O)(=O)CCOC(=O)On1c(O)ccc1O
InChIInChI=1S/C8H11NO7S/c1-17(13,14)5-4-15-8(12)16-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3
InChIKeyXSBYOJSNPYJRTG-UHFFFAOYSA-N
XLogP-0.49
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate (CID 54485637) is (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate is CS(=O)(=O)CCOC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate?
The InChIKey is XSBYOJSNPYJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO7S/c1-17(13,14)5-4-15-8(12)16-9-6(10)2-3-7(9)11/h2-3,10-11H,4-5H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate has a molecular weight of 265.24 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate is sourced from PubChem (CID 54485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).