methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate

C14H19NO3S — CID 65171187

IUPACmethyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate
SMILESCCC1C(c2ccccc2)NC(C(=O)OC)CS1=O
InChIInChI=1S/C14H19NO3S/c1-3-12-13(10-7-5-4-6-8-10)15-11(9-19(12)17)14(16)18-2/h4-8,11-13,15H,3,9H2,1-2H3
InChIKeySPQWBNRIIZKFGC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.40
Rot. Bonds3

About methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate

methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate (PubChem CID 65171187) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate
PubChem CID65171187
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namemethyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate
SMILESCCC1C(c2ccccc2)NC(C(=O)OC)CS1=O
InChIInChI=1S/C14H19NO3S/c1-3-12-13(10-7-5-4-6-8-10)15-11(9-19(12)17)14(16)18-2/h4-8,11-13,15H,3,9H2,1-2H3
InChIKeySPQWBNRIIZKFGC-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate
CID 65171489
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
2-ethyl-3-phenyl-1,4-thiazepane 1-oxide
CID 66220251
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914
dimethyl 1,1-dioxo-3,5-diphenyl-1,4-thiazinane-2,6-dicarboxylate
CID 2802399
ethyl (2S,4S,5R)-4-acetyl-5-phenylpyrrolidine-2-carboxylate
CID 102082926
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate (CID 65171187) is methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate is CCC1C(c2ccccc2)NC(C(=O)OC)CS1=O.
What is the InChIKey of methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate?
The InChIKey is SPQWBNRIIZKFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-12-13(10-7-5-4-6-8-10)15-11(9-19(12)17)14(16)18-2/h4-8,11-13,15H,3,9H2,1-2H3.
What are the key properties of methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate?
methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-1-oxo-5-phenyl-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 65171187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).