2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone

C10H20N2O2S — CID 115739175

IUPAC2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
SMILESCOCCNCC(=O)N1CCSC(C)C1
InChIInChI=1S/C10H20N2O2S/c1-9-8-12(4-6-15-9)10(13)7-11-3-5-14-2/h9,11H,3-8H2,1-2H3
InChIKeyDVGYTGRWCHHYSP-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.19
Rot. Bonds5

About 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone

2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone (PubChem CID 115739175) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
PubChem CID115739175
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
SMILESCOCCNCC(=O)N1CCSC(C)C1
InChIInChI=1S/C10H20N2O2S/c1-9-8-12(4-6-15-9)10(13)7-11-3-5-14-2/h9,11H,3-8H2,1-2H3
InChIKeyDVGYTGRWCHHYSP-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone (CID 115739175) is 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone is COCCNCC(=O)N1CCSC(C)C1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone?
The InChIKey is DVGYTGRWCHHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-8-12(4-6-15-9)10(13)7-11-3-5-14-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone?
2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone has a molecular weight of 232.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 115739175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).