ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate

C11H20N2O2S — CID 115361499

IUPACethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C11H20N2O2S/c1-4-15-9(14)5-6-12-10-13-7-11(2,3)8-16-10/h4-8H2,1-3H3,(H,12,13)
InChIKeyWFUYUPQHZDTXSK-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds4

About ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate

ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (PubChem CID 115361499) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
PubChem CID115361499
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nameethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C11H20N2O2S/c1-4-15-9(14)5-6-12-10-13-7-11(2,3)8-16-10/h4-8H2,1-3H3,(H,12,13)
InChIKeyWFUYUPQHZDTXSK-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 ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (CID 115361499) is ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is CCOC(=O)CCNC1=NCC(C)(C)CS1.
What is the InChIKey of ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The InChIKey is WFUYUPQHZDTXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-15-9(14)5-6-12-10-13-7-11(2,3)8-16-10/h4-8H2,1-3H3,(H,12,13).
What are the key properties of ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate 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 ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is sourced from PubChem (CID 115361499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).