1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone

C11H21NO2S — CID 80707057

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO2S/c1-9(2)15-8-10(13)12-6-4-11(3,14)5-7-12/h9,14H,4-8H2,1-3H3
InChIKeyMYCMAZCNPASDEO-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.50
Rot. Bonds3

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone (PubChem CID 80707057) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone
PubChem CID80707057
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO2S/c1-9(2)15-8-10(13)12-6-4-11(3,14)5-7-12/h9,14H,4-8H2,1-3H3
InChIKeyMYCMAZCNPASDEO-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone 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 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone (CID 80707057) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone is CC(C)SCC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone?
The InChIKey is MYCMAZCNPASDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(2)15-8-10(13)12-6-4-11(3,14)5-7-12/h9,14H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone has a molecular weight of 231.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 80707057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).