N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

C13H24N2O2S — CID 106250265

IUPACN-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2COCCO2)SC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2)9-15-12(18-10-13)14-7-11-8-16-5-6-17-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyRKQXAROSGDREMU-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.90
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250265) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250265
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2COCCO2)SC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2)9-15-12(18-10-13)14-7-11-8-16-5-6-17-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyRKQXAROSGDREMU-UHFFFAOYSA-N
XLogP1.90
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106250265) is N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCC2COCCO2)SC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is RKQXAROSGDREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-13(4-2)9-15-12(18-10-13)14-7-11-8-16-5-6-17-11/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 272.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).