(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate

C10H9NO5S — CID 10354996

IUPAC(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate
SMILESCc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O
InChIInChI=1S/C10H9NO5S/c1-6-3-4-7-8(5-6)10(13)11(9(7)12)16-17(2,14)15/h3-5H,1-2H3
InChIKeyMWMSTDTULHMRDA-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.48
Rot. Bonds2

About (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate

(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate (PubChem CID 10354996) has the molecular formula C10H9NO5S and a molecular weight of 255.25 g/mol. Its IUPAC name is (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate.

Molecular Properties

Compound Name(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate
PubChem CID10354996
Molecular FormulaC10H9NO5S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate
SMILESCc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O
InChIInChI=1S/C10H9NO5S/c1-6-3-4-7-8(5-6)10(13)11(9(7)12)16-17(2,14)15/h3-5H,1-2H3
InChIKeyMWMSTDTULHMRDA-UHFFFAOYSA-N
XLogP0.48
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate?
The IUPAC name of (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate (CID 10354996) is (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate.
What is the SMILES notation for (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate?
The canonical SMILES for (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate is Cc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O.
What is the InChIKey of (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate?
The InChIKey is MWMSTDTULHMRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S/c1-6-3-4-7-8(5-6)10(13)11(9(7)12)16-17(2,14)15/h3-5H,1-2H3.
What are the key properties of (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate?
(5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate has a molecular weight of 255.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-dioxoisoindol-2-yl) methanesulfonate is sourced from PubChem (CID 10354996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).