[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium

C8H16NO2S+ — CID 153278899

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
SMILESC[C@@H]1CN(C(=O)C[SH2+])C[C@H](C)O1
InChIInChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3/p+1/t6-,7+
InChIKeyIGDGGGVFQIRAMZ-KNVOCYPGSA-O
MW190.29 g/mol
LogP-0.37
Rot. Bonds1

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium (PubChem CID 153278899) has the molecular formula C8H16NO2S+ and a molecular weight of 190.29 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
PubChem CID153278899
Molecular FormulaC8H16NO2S+
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
SMILESC[C@@H]1CN(C(=O)C[SH2+])C[C@H](C)O1
InChIInChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3/p+1/t6-,7+
InChIKeyIGDGGGVFQIRAMZ-KNVOCYPGSA-O
XLogP-0.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-morpholin-4-yl-3-sulfanylpropan-1-one
CID 72947310
Morpholine, 4-(mercaptoacetyl)-
CID 916332
1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
Morpholine, 4-acetyl-2,6-dimethyl-
CID 3361054
1-[2-(Fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
CID 126794051
N,N-dimethyl-2-{4-[3-(methylthio)propanoyl]-2-morpholinyl}ethanamine
CID 45224386
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 10725609
1-Morpholin-4-yl-4-sulfanylbutan-1-one
CID 12749874
2,6-Dimethyl-4-(2'-mercaptoethyl)-morpholine
CID 19607262
1-(2,6-Dimethylmorpholin-4-yl)-2-sulfanylethanone
CID 22116904

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium (CID 153278899) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium is C[C@@H]1CN(C(=O)C[SH2+])C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium?
The InChIKey is IGDGGGVFQIRAMZ-KNVOCYPGSA-O. The full InChI is InChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3/p+1/t6-,7+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium has a molecular weight of 190.29 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium is sourced from PubChem (CID 153278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).