3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride

C11H22ClNO3S — CID 117226654

IUPAC3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1CNC(CC2CCCS(=O)(=O)C2)OC1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-6-12-11(15-7-9)5-10-3-2-4-16(13,14)8-10;/h9-12H,2-8H2,1H3;1H
InChIKeyPCXHMQGCEKMGKU-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.21
Rot. Bonds2

About 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride

3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (PubChem CID 117226654) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
PubChem CID117226654
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
SMILESCC1CNC(CC2CCCS(=O)(=O)C2)OC1.Cl
InChIInChI=1S/C11H21NO3S.ClH/c1-9-6-12-11(15-7-9)5-10-3-2-4-16(13,14)8-10;/h9-12H,2-8H2,1H3;1H
InChIKeyPCXHMQGCEKMGKU-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The IUPAC name of 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride (CID 117226654) is 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is CC1CNC(CC2CCCS(=O)(=O)C2)OC1.Cl.
What is the InChIKey of 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
The InChIKey is PCXHMQGCEKMGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S.ClH/c1-9-6-12-11(15-7-9)5-10-3-2-4-16(13,14)8-10;/h9-12H,2-8H2,1H3;1H.
What are the key properties of 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride?
3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazinan-2-yl)methyl]thiane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 117226654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).