methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate

C11H11NO4S2 — CID 10517251

IUPACmethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C11H11NO4S2/c1-5-6(2)18-9-8(5)10(14)16-11(12-9)17-4-7(13)15-3/h4H2,1-3H3
InChIKeyTZWXOUDLZLPWIP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds3

About methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate

methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate (PubChem CID 10517251) has the molecular formula C11H11NO4S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate
PubChem CID10517251
Molecular FormulaC11H11NO4S2
Molecular Weight285.35 g/mol
Exact Mass285.01
IUPAC Namemethyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C11H11NO4S2/c1-5-6(2)18-9-8(5)10(14)16-11(12-9)17-4-7(13)15-3/h4H2,1-3H3
InChIKeyTZWXOUDLZLPWIP-UHFFFAOYSA-N
XLogP2.13
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate with MolForge

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Related Compounds

ethyl 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carboxylate
CID 4961635
ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
CID 2998518
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 607607
2,5,6-Trimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 384431
2-Ethylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10331933
2-Benzylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10518548
2-Ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 10635550
5,6-Dimethyl-2-methylsulfanyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10728016
2-Methylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one
CID 10729570
Methyl 2-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)sulfanyl]acetate
CID 10733818
5,6-Dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 805244

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate (CID 10517251) is methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate is COC(=O)CSc1nc2sc(C)c(C)c2c(=O)o1.
What is the InChIKey of methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate?
The InChIKey is TZWXOUDLZLPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S2/c1-5-6(2)18-9-8(5)10(14)16-11(12-9)17-4-7(13)15-3/h4H2,1-3H3.
What are the key properties of methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate?
methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate has a molecular weight of 285.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)sulfanylacetate is sourced from PubChem (CID 10517251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).