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

C15H28N2O2S — CID 106250525

IUPACmethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate
SMILESCCC1(CC)CN=C(NC(CC(C)C)C(=O)OC)SC1
InChIInChI=1S/C15H28N2O2S/c1-6-15(7-2)9-16-14(20-10-15)17-12(8-11(3)4)13(18)19-5/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyAUTHWEKCGQPIBV-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.07
Rot. Bonds6

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

methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate (PubChem CID 106250525) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate
PubChem CID106250525
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate
SMILESCCC1(CC)CN=C(NC(CC(C)C)C(=O)OC)SC1
InChIInChI=1S/C15H28N2O2S/c1-6-15(7-2)9-16-14(20-10-15)17-12(8-11(3)4)13(18)19-5/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyAUTHWEKCGQPIBV-UHFFFAOYSA-N
XLogP3.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate (CID 106250525) is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate is CCC1(CC)CN=C(NC(CC(C)C)C(=O)OC)SC1.
What is the InChIKey of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate?
The InChIKey is AUTHWEKCGQPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-6-15(7-2)9-16-14(20-10-15)17-12(8-11(3)4)13(18)19-5/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate?
methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-4-methylpentanoate has a molecular weight of 300.47 g/mol, XLogP of 3.07, 6 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]-4-methylpentanoate is sourced from PubChem (CID 106250525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).