2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione

C14H24N4O3S — CID 57092831

IUPAC2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
SMILESCCN1SN(CC)C(=O)C(/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C14H24N4O3S/c1-3-17-13(19)12(14(20)18(4-2)22-17)11-15-5-6-16-7-9-21-10-8-16/h11-12H,3-10H2,1-2H3/b15-11+
InChIKeyAHUJRKILPACEOA-RVDMUPIBSA-N
MW328.44 g/mol
LogP0.28
Rot. Bonds6

About 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione

2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione (PubChem CID 57092831) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione.

Molecular Properties

Compound Name2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
PubChem CID57092831
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
SMILESCCN1SN(CC)C(=O)C(/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C14H24N4O3S/c1-3-17-13(19)12(14(20)18(4-2)22-17)11-15-5-6-16-7-9-21-10-8-16/h11-12H,3-10H2,1-2H3/b15-11+
InChIKeyAHUJRKILPACEOA-RVDMUPIBSA-N
XLogP0.28
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The IUPAC name of 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione (CID 57092831) is 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione.
What is the SMILES notation for 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The canonical SMILES for 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione is CCN1SN(CC)C(=O)C(/C=N/CCN2CCOCC2)C1=O.
What is the InChIKey of 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The InChIKey is AHUJRKILPACEOA-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-3-17-13(19)12(14(20)18(4-2)22-17)11-15-5-6-16-7-9-21-10-8-16/h11-12H,3-10H2,1-2H3/b15-11+.
What are the key properties of 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione has a molecular weight of 328.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione is sourced from PubChem (CID 57092831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).