benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate

C15H15NO4S2 — CID 166866844

IUPACbenzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate
SMILESCN1CC(C(=O)OCc2ccccc2)c2sccc2S1(=O)=O
InChIInChI=1S/C15H15NO4S2/c1-16-9-12(14-13(7-8-21-14)22(16,18)19)15(17)20-10-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3
InChIKeyRCTPMHVIOGMWIU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.21
Rot. Bonds3

About benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate

benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate (PubChem CID 166866844) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate
PubChem CID166866844
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namebenzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate
SMILESCN1CC(C(=O)OCc2ccccc2)c2sccc2S1(=O)=O
InChIInChI=1S/C15H15NO4S2/c1-16-9-12(14-13(7-8-21-14)22(16,18)19)15(17)20-10-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3
InChIKeyRCTPMHVIOGMWIU-UHFFFAOYSA-N
XLogP2.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate?
The IUPAC name of benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate (CID 166866844) is benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate.
What is the SMILES notation for benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate?
The canonical SMILES for benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate is CN1CC(C(=O)OCc2ccccc2)c2sccc2S1(=O)=O.
What is the InChIKey of benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate?
The InChIKey is RCTPMHVIOGMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-16-9-12(14-13(7-8-21-14)22(16,18)19)15(17)20-10-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3.
What are the key properties of benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate?
benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate is sourced from PubChem (CID 166866844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).