1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone

C9H17NO3S — CID 102934667

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
SMILESCSCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C9H17NO3S/c1-7-3-10(9(12)6-14-2)4-8(5-11)13-7/h7-8,11H,3-6H2,1-2H3
InChIKeyUSJHBSGTKNEXLG-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.04
Rot. Bonds3

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone (PubChem CID 102934667) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
PubChem CID102934667
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
SMILESCSCC(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C9H17NO3S/c1-7-3-10(9(12)6-14-2)4-8(5-11)13-7/h7-8,11H,3-6H2,1-2H3
InChIKeyUSJHBSGTKNEXLG-UHFFFAOYSA-N
XLogP-0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
CID 102934544
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 102934744
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone (CID 102934667) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone is CSCC(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone?
The InChIKey is USJHBSGTKNEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-3-10(9(12)6-14-2)4-8(5-11)13-7/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone has a molecular weight of 219.31 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 102934667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).