methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate

C11H11N3O2S — CID 40541038

IUPACmethyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate
SMILESCOC(=O)C1=NN=C(N)S[C@H]1c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(12)14-13-8)7-5-3-2-4-6-7/h2-6,9H,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyJYDJCFSJHROVNU-VIFPVBQESA-N
MW249.30 g/mol
LogP1.32
Rot. Bonds2

About methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate

methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate (PubChem CID 40541038) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate
PubChem CID40541038
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate
SMILESCOC(=O)C1=NN=C(N)S[C@H]1c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(12)14-13-8)7-5-3-2-4-6-7/h2-6,9H,1H3,(H2,12,14)/t9-/m0/s1
InChIKeyJYDJCFSJHROVNU-VIFPVBQESA-N
XLogP1.32
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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dimethyl (2R,7R)-5-amino-2-methyl-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 7266627
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
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methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate
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methyl 1',3'-dioxo-1,4-diphenylspiro[4H-pyrazole-5,2'-indene]-3-carboxylate
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dimethyl (3S,8E)-7-amino-8-benzylidene-4-oxo-3-phenylpyrrolo[2,1-c][1,4]thiazine-1,6-dicarboxylate
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methyl benzoate;hydrate
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CID 157228504
CID 157228504
methyl (2E)-2-(4-methoxycarbonyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate?
The IUPAC name of methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate (CID 40541038) is methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate.
What is the SMILES notation for methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate?
The canonical SMILES for methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate is COC(=O)C1=NN=C(N)S[C@H]1c1ccccc1.
What is the InChIKey of methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate?
The InChIKey is JYDJCFSJHROVNU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10(15)8-9(17-11(12)14-13-8)7-5-3-2-4-6-7/h2-6,9H,1H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate?
methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate is sourced from PubChem (CID 40541038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).