5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane

C11H17NOS — CID 117227243

IUPAC5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(Cc2cccs2)OC1
InChIInChI=1S/C11H17NOS/c1-11(2)7-12-10(13-8-11)6-9-4-3-5-14-9/h3-5,10,12H,6-8H2,1-2H3
InChIKeyYBYUVEYKDOOXKN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.26
Rot. Bonds2

About 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane

5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane (PubChem CID 117227243) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane
PubChem CID117227243
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(Cc2cccs2)OC1
InChIInChI=1S/C11H17NOS/c1-11(2)7-12-10(13-8-11)6-9-4-3-5-14-9/h3-5,10,12H,6-8H2,1-2H3
InChIKeyYBYUVEYKDOOXKN-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane?
The IUPAC name of 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane (CID 117227243) is 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane is CC1(C)CNC(Cc2cccs2)OC1.
What is the InChIKey of 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane?
The InChIKey is YBYUVEYKDOOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2)7-12-10(13-8-11)6-9-4-3-5-14-9/h3-5,10,12H,6-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane?
5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane has a molecular weight of 211.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117227243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).