1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone

C10H18N2O2S — CID 153278886

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone
SMILES[H]/N=C/CSCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H18N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h3,8-9,11H,4-7H2,1-2H3/b11-3+/t8-,9+
InChIKeyICUIGMAUIIPYSX-CNNFAYNDSA-N
MW230.33 g/mol
LogP1.00
Rot. Bonds4

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone (PubChem CID 153278886) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone
PubChem CID153278886
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone
SMILES[H]/N=C/CSCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H18N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h3,8-9,11H,4-7H2,1-2H3/b11-3+/t8-,9+
InChIKeyICUIGMAUIIPYSX-CNNFAYNDSA-N
XLogP1.00
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
CID 47030863
2-benzylsulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889316
2-benzylsulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889317
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131889002
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78767264
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
CID 102934544
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone (CID 153278886) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone is [H]/N=C/CSCC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone?
The InChIKey is ICUIGMAUIIPYSX-CNNFAYNDSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h3,8-9,11H,4-7H2,1-2H3/b11-3+/t8-,9+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone has a molecular weight of 230.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-iminoethylsulfanyl)ethanone is sourced from PubChem (CID 153278886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).