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

C15H26N4O2S — CID 57103098

IUPAC2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
SMILESCCN1SN(CC)C(=O)C(/C=N/CCN2CCCCC2)C1=O
InChIInChI=1S/C15H26N4O2S/c1-3-18-14(20)13(15(21)19(4-2)22-18)12-16-8-11-17-9-6-5-7-10-17/h12-13H,3-11H2,1-2H3/b16-12+
InChIKeyNIJRGMMZAIXNHG-FOWTUZBSSA-N
MW326.47 g/mol
LogP1.43
Rot. Bonds6

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

2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione (PubChem CID 57103098) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione.

Molecular Properties

Compound Name2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
PubChem CID57103098
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
SMILESCCN1SN(CC)C(=O)C(/C=N/CCN2CCCCC2)C1=O
InChIInChI=1S/C15H26N4O2S/c1-3-18-14(20)13(15(21)19(4-2)22-18)12-16-8-11-17-9-6-5-7-10-17/h12-13H,3-11H2,1-2H3/b16-12+
InChIKeyNIJRGMMZAIXNHG-FOWTUZBSSA-N
XLogP1.43
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1,3-Dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6997408
1,3-Dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7336034
1,3-Diethyl-5-(2-piperidin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7367895

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The IUPAC name of 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione (CID 57103098) is 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione.
What is the SMILES notation for 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The canonical SMILES for 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione is CCN1SN(CC)C(=O)C(/C=N/CCN2CCCCC2)C1=O.
What is the InChIKey of 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
The InChIKey is NIJRGMMZAIXNHG-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-18-14(20)13(15(21)19(4-2)22-18)12-16-8-11-17-9-6-5-7-10-17/h12-13H,3-11H2,1-2H3/b16-12+.
What are the key properties of 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione?
2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione has a molecular weight of 326.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-(2-piperidin-1-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione is sourced from PubChem (CID 57103098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).