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

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

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Related Compounds

3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
CID 117225725
3-[(4-methyl-1,3-oxazolidin-2-yl)methyl]thiolane 1,1-dioxide
CID 117227706
3-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117228101
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
3-[[5-(methoxymethyl)-5-methylpyrrolidin-3-yl]methyl]thiane 1,1-dioxide
CID 117270596
2,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226965
N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269662
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride
CID 117227184

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).