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

C16H21N3O2S — CID 3139558

IUPAC3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(C)c2)CC(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)14(20)10-13(22-16)15(21)18-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-
InChIKeyKPTYMEWKWFMGDS-MSUUIHNZSA-N
MW319.43 g/mol
LogP2.66
Rot. Bonds4

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

3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139558) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139558
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(C)c2)CC(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)14(20)10-13(22-16)15(21)18-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-
InChIKeyKPTYMEWKWFMGDS-MSUUIHNZSA-N
XLogP2.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.66
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 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139558) is 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2cccc(C)c2)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is KPTYMEWKWFMGDS-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)14(20)10-13(22-16)15(21)18-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-.
What are the key properties of 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).