N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C13H24N2OS — CID 83028746

IUPACN-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2CCOC(C)(C)C2)SC1
InChIInChI=1S/C13H24N2OS/c1-12(2)8-14-11(17-9-12)15-10-5-6-16-13(3,4)7-10/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyZTFDVWAENLUPHB-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds1

About N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 83028746) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID83028746
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NC2CCOC(C)(C)C2)SC1
InChIInChI=1S/C13H24N2OS/c1-12(2)8-14-11(17-9-12)15-10-5-6-16-13(3,4)7-10/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyZTFDVWAENLUPHB-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 83028746) is N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NC2CCOC(C)(C)C2)SC1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZTFDVWAENLUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-12(2)8-14-11(17-9-12)15-10-5-6-16-13(3,4)7-10/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 83028746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).