1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one

C9H17NO2S — CID 107022948

IUPAC1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)S)C(C)CO1
InChIInChI=1S/C9H17NO2S/c1-6-5-12-7(2)4-10(6)9(11)8(3)13/h6-8,13H,4-5H2,1-3H3
InChIKeyFUOWRSXOIJNFER-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.94
Rot. Bonds1

About 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one

1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one (PubChem CID 107022948) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
PubChem CID107022948
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)S)C(C)CO1
InChIInChI=1S/C9H17NO2S/c1-6-5-12-7(2)4-10(6)9(11)8(3)13/h6-8,13H,4-5H2,1-3H3
InChIKeyFUOWRSXOIJNFER-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-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

Related Compounds

1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 104906985
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 81071477
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
(2,5-dimethylmorpholin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654294
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one (CID 107022948) is 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one is CC1CN(C(=O)C(C)S)C(C)CO1.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one?
The InChIKey is FUOWRSXOIJNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6-5-12-7(2)4-10(6)9(11)8(3)13/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one?
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one has a molecular weight of 203.31 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one is sourced from PubChem (CID 107022948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).