(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

C11H20N2O2S — CID 82916453

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3
InChIKeyKCUUJPBRIUKIPR-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.06
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 82916453) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID82916453
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3
InChIKeyKCUUJPBRIUKIPR-UHFFFAOYSA-N
XLogP0.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone 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 (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (CID 82916453) is (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is CC1(O)CCN(C(=O)C2CSCCN2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is KCUUJPBRIUKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 244.36 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82916453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).