4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione

C17H17N3O3S — CID 21454850

IUPAC4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione
SMILESCON1C(=O)N(c2cccc(C)c2)SN(c2cccc(C)c2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-12-6-4-8-14(10-12)19-16(21)18(23-3)17(22)20(24-19)15-9-5-7-13(2)11-15/h4-11H,1-3H3
InChIKeyHNDDMXWTFKCXOQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.30
Rot. Bonds3

About 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione

4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione (PubChem CID 21454850) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione.

Molecular Properties

Compound Name4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione
PubChem CID21454850
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione
SMILESCON1C(=O)N(c2cccc(C)c2)SN(c2cccc(C)c2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-12-6-4-8-14(10-12)19-16(21)18(23-3)17(22)20(24-19)15-9-5-7-13(2)11-15/h4-11H,1-3H3
InChIKeyHNDDMXWTFKCXOQ-UHFFFAOYSA-N
XLogP4.30
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione?
The IUPAC name of 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione (CID 21454850) is 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione.
What is the SMILES notation for 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione?
The canonical SMILES for 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione is CON1C(=O)N(c2cccc(C)c2)SN(c2cccc(C)c2)C1=O.
What is the InChIKey of 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione?
The InChIKey is HNDDMXWTFKCXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-6-4-8-14(10-12)19-16(21)18(23-3)17(22)20(24-19)15-9-5-7-13(2)11-15/h4-11H,1-3H3.
What are the key properties of 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione?
4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione has a molecular weight of 343.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione is sourced from PubChem (CID 21454850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).