3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride

C12H24ClNO3S — CID 117226380

IUPAC3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride
SMILESCC1(C)CNC(C)(C2CCCS(=O)(=O)C2)OC1.Cl
InChIInChI=1S/C12H23NO3S.ClH/c1-11(2)8-13-12(3,16-9-11)10-5-4-6-17(14,15)7-10;/h10,13H,4-9H2,1-3H3;1H
InChIKeyQOEAQXQSOXGZIP-UHFFFAOYSA-N
MW297.85 g/mol
LogP1.60
Rot. Bonds1

About 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride

3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride (PubChem CID 117226380) has the molecular formula C12H24ClNO3S and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride
PubChem CID117226380
Molecular FormulaC12H24ClNO3S
Molecular Weight297.85 g/mol
Exact Mass297.12
IUPAC Name3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride
SMILESCC1(C)CNC(C)(C2CCCS(=O)(=O)C2)OC1.Cl
InChIInChI=1S/C12H23NO3S.ClH/c1-11(2)8-13-12(3,16-9-11)10-5-4-6-17(14,15)7-10;/h10,13H,4-9H2,1-3H3;1H
InChIKeyQOEAQXQSOXGZIP-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride?
The IUPAC name of 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride (CID 117226380) is 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride is CC1(C)CNC(C)(C2CCCS(=O)(=O)C2)OC1.Cl.
What is the InChIKey of 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride?
The InChIKey is QOEAQXQSOXGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S.ClH/c1-11(2)8-13-12(3,16-9-11)10-5-4-6-17(14,15)7-10;/h10,13H,4-9H2,1-3H3;1H.
What are the key properties of 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride?
3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 117226380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).