1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one

C11H21NO2S — CID 79209382

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one
SMILESCC1CN(C(=O)CCCCO)CC(C)S1
InChIInChI=1S/C11H21NO2S/c1-9-7-12(8-10(2)15-9)11(14)5-3-4-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXCJUREBVTHXZNF-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.50
Rot. Bonds4

About 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one

1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one (PubChem CID 79209382) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one
PubChem CID79209382
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one
SMILESCC1CN(C(=O)CCCCO)CC(C)S1
InChIInChI=1S/C11H21NO2S/c1-9-7-12(8-10(2)15-9)11(14)5-3-4-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXCJUREBVTHXZNF-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 81489730
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one (CID 79209382) is 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one is CC1CN(C(=O)CCCCO)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one?
The InChIKey is XCJUREBVTHXZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-7-12(8-10(2)15-9)11(14)5-3-4-6-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one?
1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one has a molecular weight of 231.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one is sourced from PubChem (CID 79209382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).