1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione

C9H9N3O9S3 — CID 90383875

IUPAC1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CS(=O)(=O)n1c(=O)n(S(=O)(=O)C=C)c(=O)n(S(=O)(=O)C=C)c1=O
InChIInChI=1S/C9H9N3O9S3/c1-4-22(16,17)10-7(13)11(23(18,19)5-2)9(15)12(8(10)14)24(20,21)6-3/h4-6H,1-3H2
InChIKeyRWCYIWFCNYQDRS-UHFFFAOYSA-N
MW399.38 g/mol
LogP-2.86
Rot. Bonds6

About 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 90383875) has the molecular formula C9H9N3O9S3 and a molecular weight of 399.38 g/mol. Its IUPAC name is 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID90383875
Molecular FormulaC9H9N3O9S3
Molecular Weight399.38 g/mol
Exact Mass398.95
IUPAC Name1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CS(=O)(=O)n1c(=O)n(S(=O)(=O)C=C)c(=O)n(S(=O)(=O)C=C)c1=O
InChIInChI=1S/C9H9N3O9S3/c1-4-22(16,17)10-7(13)11(23(18,19)5-2)9(15)12(8(10)14)24(20,21)6-3/h4-6H,1-3H2
InChIKeyRWCYIWFCNYQDRS-UHFFFAOYSA-N
XLogP-2.86
TPSA168.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 5-2.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione (CID 90383875) is 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione is C=CS(=O)(=O)n1c(=O)n(S(=O)(=O)C=C)c(=O)n(S(=O)(=O)C=C)c1=O.
What is the InChIKey of 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RWCYIWFCNYQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O9S3/c1-4-22(16,17)10-7(13)11(23(18,19)5-2)9(15)12(8(10)14)24(20,21)6-3/h4-6H,1-3H2.
What are the key properties of 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 399.38 g/mol, XLogP of -2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(ethenylsulfonyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 90383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).