5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione

C13H14N2O4S — CID 4117383

IUPAC5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
InChIKeyYATIWPMEKYVTAO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.00
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione

5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione (PubChem CID 4117383) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
PubChem CID4117383
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
InChIKeyYATIWPMEKYVTAO-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione (CID 4117383) is 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The InChIKey is YATIWPMEKYVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17).
What are the key properties of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione has a molecular weight of 294.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 4117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).