6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

C10H18N2O2S — CID 118322869

IUPAC6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
SMILESCOCC1CC2C(CO1)N=C(N)SC2C
InChIInChI=1S/C10H18N2O2S/c1-6-8-3-7(4-13-2)14-5-9(8)12-10(11)15-6/h6-9H,3-5H2,1-2H3,(H2,11,12)
InChIKeyVCUSZFATLDHIQS-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.86
Rot. Bonds2

About 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 118322869) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
PubChem CID118322869
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
SMILESCOCC1CC2C(CO1)N=C(N)SC2C
InChIInChI=1S/C10H18N2O2S/c1-6-8-3-7(4-13-2)14-5-9(8)12-10(11)15-6/h6-9H,3-5H2,1-2H3,(H2,11,12)
InChIKeyVCUSZFATLDHIQS-UHFFFAOYSA-N
XLogP0.86
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (CID 118322869) is 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine is COCC1CC2C(CO1)N=C(N)SC2C.
What is the InChIKey of 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The InChIKey is VCUSZFATLDHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-6-8-3-7(4-13-2)14-5-9(8)12-10(11)15-6/h6-9H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 230.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-4-methyl-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 118322869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).