methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate

C11H20N2O2S — CID 106249882

IUPACmethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
SMILESCCC1(CC)CN=C(NCC(=O)OC)SC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)7-13-10(16-8-11)12-6-9(14)15-3/h4-8H2,1-3H3,(H,12,13)
InChIKeyNTWQUZLYDXIOIF-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate

methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate (PubChem CID 106249882) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
PubChem CID106249882
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
SMILESCCC1(CC)CN=C(NCC(=O)OC)SC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)7-13-10(16-8-11)12-6-9(14)15-3/h4-8H2,1-3H3,(H,12,13)
InChIKeyNTWQUZLYDXIOIF-UHFFFAOYSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate (CID 106249882) is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate is CCC1(CC)CN=C(NCC(=O)OC)SC1.
What is the InChIKey of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The InChIKey is NTWQUZLYDXIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-11(5-2)7-13-10(16-8-11)12-6-9(14)15-3/h4-8H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate has a molecular weight of 244.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate is sourced from PubChem (CID 106249882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).