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

C14H25N3OS — CID 106251017

IUPAC5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCCC1(CC)CN=C(NC2CCC(=O)N(C)C2)SC1
InChIInChI=1S/C14H25N3OS/c1-4-14(5-2)9-15-13(19-10-14)16-11-6-7-12(18)17(3)8-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyXODXGBLBXMITLI-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.11
Rot. Bonds3

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

5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one (PubChem CID 106251017) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one
PubChem CID106251017
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one
SMILESCCC1(CC)CN=C(NC2CCC(=O)N(C)C2)SC1
InChIInChI=1S/C14H25N3OS/c1-4-14(5-2)9-15-13(19-10-14)16-11-6-7-12(18)17(3)8-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyXODXGBLBXMITLI-UHFFFAOYSA-N
XLogP2.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one (CID 106251017) is 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one is CCC1(CC)CN=C(NC2CCC(=O)N(C)C2)SC1.
What is the InChIKey of 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is XODXGBLBXMITLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-14(5-2)9-15-13(19-10-14)16-11-6-7-12(18)17(3)8-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one?
5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 283.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 106251017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).