methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate

C11H15NO3S2 — CID 65171489

IUPACmethyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)C(C)C(c2cccs2)N1
InChIInChI=1S/C11H15NO3S2/c1-7-10(9-4-3-5-16-9)12-8(6-17(7)14)11(13)15-2/h3-5,7-8,10,12H,6H2,1-2H3
InChIKeyBZPDPUGSFMZRCF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.07
Rot. Bonds2

About methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate

methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate (PubChem CID 65171489) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate
PubChem CID65171489
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Namemethyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)C(C)C(c2cccs2)N1
InChIInChI=1S/C11H15NO3S2/c1-7-10(9-4-3-5-16-9)12-8(6-17(7)14)11(13)15-2/h3-5,7-8,10,12H,6H2,1-2H3
InChIKeyBZPDPUGSFMZRCF-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate (CID 65171489) is methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate is COC(=O)C1CS(=O)C(C)C(c2cccs2)N1.
What is the InChIKey of methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate?
The InChIKey is BZPDPUGSFMZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-7-10(9-4-3-5-16-9)12-8(6-17(7)14)11(13)15-2/h3-5,7-8,10,12H,6H2,1-2H3.
What are the key properties of methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate?
methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1-oxo-5-thiophen-2-yl-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 65171489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).