1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one

C13H23N3OS — CID 106351890

IUPAC1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one
SMILESCC(C)C1CCSC(NC2CCC(=O)N(C)C2)=N1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-6-7-18-13(15-11)14-10-4-5-12(17)16(3)8-10/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyLSSJWXCMMVFIOO-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.71
Rot. Bonds2

About 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one

1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one (PubChem CID 106351890) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one
PubChem CID106351890
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one
SMILESCC(C)C1CCSC(NC2CCC(=O)N(C)C2)=N1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-6-7-18-13(15-11)14-10-4-5-12(17)16(3)8-10/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyLSSJWXCMMVFIOO-UHFFFAOYSA-N
XLogP1.71
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one (CID 106351890) is 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one is CC(C)C1CCSC(NC2CCC(=O)N(C)C2)=N1.
What is the InChIKey of 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one?
The InChIKey is LSSJWXCMMVFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)11-6-7-18-13(15-11)14-10-4-5-12(17)16(3)8-10/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one?
1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one has a molecular weight of 269.41 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 106351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).