6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one

C10H13NO2S — CID 59298282

IUPAC6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one
SMILESCC(C)Cc1cc2c(s1)OCC(=O)N2
InChIInChI=1S/C10H13NO2S/c1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyCGXLKQOBYDNKIQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.28
Rot. Bonds2

About 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one

6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one (PubChem CID 59298282) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one
PubChem CID59298282
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one
SMILESCC(C)Cc1cc2c(s1)OCC(=O)N2
InChIInChI=1S/C10H13NO2S/c1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyCGXLKQOBYDNKIQ-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one (CID 59298282) is 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one is CC(C)Cc1cc2c(s1)OCC(=O)N2.
What is the InChIKey of 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one?
The InChIKey is CGXLKQOBYDNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(2)3-7-4-8-10(14-7)13-5-9(12)11-8/h4,6H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one?
6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one has a molecular weight of 211.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 59298282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).