N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

C15H18ClN3O2S — CID 3139557

IUPACN-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H18ClN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-6-10(16)8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-
InChIKeyXGQLTKNFSZOXLH-ICFOKQHNSA-N
MW339.85 g/mol
LogP3.01
Rot. Bonds4

About N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139557) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139557
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC
InChIInChI=1S/C15H18ClN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-6-10(16)8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-
InChIKeyXGQLTKNFSZOXLH-ICFOKQHNSA-N
XLogP3.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139557) is N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC.
What is the InChIKey of N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is XGQLTKNFSZOXLH-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-17-15-19(4-2)13(20)9-12(22-15)14(21)18-11-7-5-6-10(16)8-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)/b17-15-.
What are the key properties of N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).