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

C16H21N3O3S — CID 3139559

IUPAC3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC
InChIInChI=1S/C16H21N3O3S/c1-4-17-16-19(5-2)14(20)10-13(23-16)15(21)18-11-6-8-12(22-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-
InChIKeyDNVGZJFGVOJQAF-MSUUIHNZSA-N
MW335.43 g/mol
LogP2.36
Rot. Bonds5

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

3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139559) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139559
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC
InChIInChI=1S/C16H21N3O3S/c1-4-17-16-19(5-2)14(20)10-13(23-16)15(21)18-11-6-8-12(22-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-
InChIKeyDNVGZJFGVOJQAF-MSUUIHNZSA-N
XLogP2.36
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139559) is 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is DNVGZJFGVOJQAF-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-17-16-19(5-2)14(20)10-13(23-16)15(21)18-11-6-8-12(22-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/b17-16-.
What are the key properties of 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).