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

C15H18ClN3O2S — CID 699155

IUPAC(6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\S[C@@H](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-/t12-/m1/s1
InChIKeyXGQLTKNFSZOXLH-UWENYHRYSA-N
MW339.85 g/mol
LogP3.01
Rot. Bonds4

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

(6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 699155) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID699155
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name(6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\S[C@@H](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-/t12-/m1/s1
InChIKeyXGQLTKNFSZOXLH-UWENYHRYSA-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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Related Compounds

(6S)-3-butyl-2-butylimino-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 7320678
methyl 4-[[(6S)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 1128885
(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 1213047
N-(3-chlorophenyl)-2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3595987
N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4139931
N-(3,5-dichlorophenyl)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4142638
(6R)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 25305939
N-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4161927
4-[[(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 41244452
(6S)-N-(3-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41066965
4-[[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3140631
N-(3-chloro-4-methylphenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5140673

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 699155) is (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\S[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC.
What is the InChIKey of (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is XGQLTKNFSZOXLH-UWENYHRYSA-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-/t12-/m1/s1.
What are the key properties of (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
(6R)-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 (6R)-N-(3-chlorophenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 699155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).