3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one

C13H25NO2S — CID 155469944

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)CCOC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)16-10-7-12(15)14-8-5-11(17-4)6-9-14/h11H,5-10H2,1-4H3
InChIKeyJVIIAWDMCZFYSL-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.55
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one

3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one (PubChem CID 155469944) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
PubChem CID155469944
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)CCOC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)16-10-7-12(15)14-8-5-11(17-4)6-9-14/h11H,5-10H2,1-4H3
InChIKeyJVIIAWDMCZFYSL-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one 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 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one (CID 155469944) is 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one is CSC1CCN(C(=O)CCOC(C)(C)C)CC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The InChIKey is JVIIAWDMCZFYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(2,3)16-10-7-12(15)14-8-5-11(17-4)6-9-14/h11H,5-10H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one has a molecular weight of 259.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 155469944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).