1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione

C13H14N2O5S — CID 4614896

IUPAC1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O5S/c1-14-11-3-2-9(8-10(11)12(16)13(14)17)21(18,19)15-4-6-20-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyPSNZNQIYZSUSAB-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.13
Rot. Bonds2

About 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione

1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione (PubChem CID 4614896) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
PubChem CID4614896
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O5S/c1-14-11-3-2-9(8-10(11)12(16)13(14)17)21(18,19)15-4-6-20-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyPSNZNQIYZSUSAB-UHFFFAOYSA-N
XLogP-0.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione (CID 4614896) is 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione is CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione?
The InChIKey is PSNZNQIYZSUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-14-11-3-2-9(8-10(11)12(16)13(14)17)21(18,19)15-4-6-20-7-5-15/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione?
1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione has a molecular weight of 310.33 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-morpholin-4-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 4614896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).