3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide

C7H15NO3S — CID 107511165

IUPAC3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCOCC1CS(=O)(=O)CC(C)N1
InChIInChI=1S/C7H15NO3S/c1-6-4-12(9,10)5-7(8-6)3-11-2/h6-8H,3-5H2,1-2H3
InChIKeyLOJWTLYVXQCOSB-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.59
Rot. Bonds2

About 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide

3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 107511165) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID107511165
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCOCC1CS(=O)(=O)CC(C)N1
InChIInChI=1S/C7H15NO3S/c1-6-4-12(9,10)5-7(8-6)3-11-2/h6-8H,3-5H2,1-2H3
InChIKeyLOJWTLYVXQCOSB-UHFFFAOYSA-N
XLogP-0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 107511171
3-methyl-5-propyl-1,4-thiazinane 1,1-dioxide
CID 66219421
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
5-(methoxymethyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 107511162
2-(methoxymethyl)-6-methylpiperidin-4-ol
CID 89196247
3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide
CID 117258436
3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
CID 170907548
2-(methoxymethyl)azetidine
CID 58227482
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189
(5S)-2-methoxy-5-(methoxymethyl)pyrrolidine
CID 171535887
2-(methoxymethyl)piperidin-4-one
CID 82651344
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide (CID 107511165) is 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide is COCC1CS(=O)(=O)CC(C)N1.
What is the InChIKey of 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is LOJWTLYVXQCOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-4-12(9,10)5-7(8-6)3-11-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 193.27 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 107511165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).