5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine

C12H22N2OS — CID 115361638

IUPAC5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2CCOCC2)SC1
InChIInChI=1S/C12H22N2OS/c1-12(2)8-14-11(16-9-12)13-7-10-3-5-15-6-4-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyZRAWSDWCUXGBGK-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.13
Rot. Bonds2

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

5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361638) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361638
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2CCOCC2)SC1
InChIInChI=1S/C12H22N2OS/c1-12(2)8-14-11(16-9-12)13-7-10-3-5-15-6-4-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyZRAWSDWCUXGBGK-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115361638) is 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCC2CCOCC2)SC1.
What is the InChIKey of 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZRAWSDWCUXGBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2)8-14-11(16-9-12)13-7-10-3-5-15-6-4-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(oxan-4-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).