6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one

C14H17ClN2OS — CID 3057265

IUPAC6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one
SMILESCCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18/h5-8,11-12H,4H2,1-3H3/b16-14-
InChIKeyCVCHVBJMQZPJQE-PEZBUJJGSA-N
MW296.82 g/mol
LogP3.60
Rot. Bonds2

About 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one

6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one (PubChem CID 3057265) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one
PubChem CID3057265
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one
SMILESCCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18/h5-8,11-12H,4H2,1-3H3/b16-14-
InChIKeyCVCHVBJMQZPJQE-PEZBUJJGSA-N
XLogP3.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one?
The IUPAC name of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one (CID 3057265) is 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one is CCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one?
The InChIKey is CVCHVBJMQZPJQE-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18/h5-8,11-12H,4H2,1-3H3/b16-14-.
What are the key properties of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one?
6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one has a molecular weight of 296.82 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one is sourced from PubChem (CID 3057265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).