N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C22H35N3OS — CID 17338584

IUPACN-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccccc1CN(C1=NCCCS1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H35N3OS/c1-6-26-19-11-8-7-10-17(19)16-25(20-23-12-9-13-27-20)18-14-21(2,3)24-22(4,5)15-18/h7-8,10-11,18,24H,6,9,12-16H2,1-5H3
InChIKeyOETCIUJVLYWEPP-UHFFFAOYSA-N
MW389.61 g/mol
LogP4.69
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338584) has the molecular formula C22H35N3OS and a molecular weight of 389.61 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338584
Molecular FormulaC22H35N3OS
Molecular Weight389.61 g/mol
Exact Mass389.25
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccccc1CN(C1=NCCCS1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H35N3OS/c1-6-26-19-11-8-7-10-17(19)16-25(20-23-12-9-13-27-20)18-14-21(2,3)24-22(4,5)15-18/h7-8,10-11,18,24H,6,9,12-16H2,1-5H3
InChIKeyOETCIUJVLYWEPP-UHFFFAOYSA-N
XLogP4.69
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338584) is N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOc1ccccc1CN(C1=NCCCS1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OETCIUJVLYWEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3OS/c1-6-26-19-11-8-7-10-17(19)16-25(20-23-12-9-13-27-20)18-14-21(2,3)24-22(4,5)15-18/h7-8,10-11,18,24H,6,9,12-16H2,1-5H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 389.61 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).