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

C14H26N2O2S — CID 106250522

IUPACmethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate
SMILESCCC1(CC)CN=C(NC(C(=O)OC)C(C)C)SC1
InChIInChI=1S/C14H26N2O2S/c1-6-14(7-2)8-15-13(19-9-14)16-11(10(3)4)12(17)18-5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyPYWGIZBNYYYIDT-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.68
Rot. Bonds5

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

methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate (PubChem CID 106250522) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate
PubChem CID106250522
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate
SMILESCCC1(CC)CN=C(NC(C(=O)OC)C(C)C)SC1
InChIInChI=1S/C14H26N2O2S/c1-6-14(7-2)8-15-13(19-9-14)16-11(10(3)4)12(17)18-5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyPYWGIZBNYYYIDT-UHFFFAOYSA-N
XLogP2.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.68
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]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate (CID 106250522) is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate is CCC1(CC)CN=C(NC(C(=O)OC)C(C)C)SC1.
What is the InChIKey of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate?
The InChIKey is PYWGIZBNYYYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-6-14(7-2)8-15-13(19-9-14)16-11(10(3)4)12(17)18-5/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate?
methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate has a molecular weight of 286.44 g/mol, XLogP of 2.68, 5 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]-3-methylbutanoate is sourced from PubChem (CID 106250522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).