5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C15H26N4O2S — CID 7367267

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN(CC)CC/N=C/C1C(=O)N(CC)C(=S)N(CC)C1=O
InChIInChI=1S/C15H26N4O2S/c1-5-17(6-2)10-9-16-11-12-13(20)18(7-3)15(22)19(8-4)14(12)21/h11-12H,5-10H2,1-4H3/b16-11+
InChIKeyUFDWUYGJIRJITP-LFIBNONCSA-N
MW326.47 g/mol
LogP1.01
Rot. Bonds8

About 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 7367267) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID7367267
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCN(CC)CC/N=C/C1C(=O)N(CC)C(=S)N(CC)C1=O
InChIInChI=1S/C15H26N4O2S/c1-5-17(6-2)10-9-16-11-12-13(20)18(7-3)15(22)19(8-4)14(12)21/h11-12H,5-10H2,1-4H3/b16-11+
InChIKeyUFDWUYGJIRJITP-LFIBNONCSA-N
XLogP1.01
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.01
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 7367267) is 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is CCN(CC)CC/N=C/C1C(=O)N(CC)C(=S)N(CC)C1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is UFDWUYGJIRJITP-LFIBNONCSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-5-17(6-2)10-9-16-11-12-13(20)18(7-3)15(22)19(8-4)14(12)21/h11-12H,5-10H2,1-4H3/b16-11+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 326.47 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 7367267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).