4-oxido-4-sulfanylmorpholin-4-ium

C4H9NO2S — CID 87098429

IUPAC4-oxido-4-sulfanylmorpholin-4-ium
SMILES[O-][N+]1(S)CCOCC1
InChIInChI=1S/C4H9NO2S/c6-5(8)1-3-7-4-2-5/h8H,1-4H2
InChIKeyLIGUOXADMPJPQN-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.18
Rot. Bonds

About 4-oxido-4-sulfanylmorpholin-4-ium

4-oxido-4-sulfanylmorpholin-4-ium (PubChem CID 87098429) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 4-oxido-4-sulfanylmorpholin-4-ium.

Molecular Properties

Compound Name4-oxido-4-sulfanylmorpholin-4-ium
PubChem CID87098429
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name4-oxido-4-sulfanylmorpholin-4-ium
SMILES[O-][N+]1(S)CCOCC1
InChIInChI=1S/C4H9NO2S/c6-5(8)1-3-7-4-2-5/h8H,1-4H2
InChIKeyLIGUOXADMPJPQN-UHFFFAOYSA-N
XLogP0.18
TPSA32.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Methyl morpholine oxide
CID 82029
N-Methylmorpholine N-oxide monohydrate
CID 2724197
4-Ethylmorpholine 4-oxide
CID 75986
Morpholin-4-ol
CID 165345
4-(Dioxo-lambda(6)-sulfanyl)morpholine
CID 6411636
Morpholine, 4-mercapto-
CID 12237646
4-Methylmorpholine N-oxide
CID 22973188
4-Morpholinesulfenyl chloride
CID 12297779
Morpholine-4-sulfinyl chloride
CID 10975900
4-Disulfanylmorpholine
CID 20975445
Ethoxy morpholine
CID 22400959
morpholin-4-yl N,N-bis(sulfanyl)carbamate
CID 87118002

Frequently Asked Questions

What is the IUPAC name of 4-oxido-4-sulfanylmorpholin-4-ium?
The IUPAC name of 4-oxido-4-sulfanylmorpholin-4-ium (CID 87098429) is 4-oxido-4-sulfanylmorpholin-4-ium.
What is the SMILES notation for 4-oxido-4-sulfanylmorpholin-4-ium?
The canonical SMILES for 4-oxido-4-sulfanylmorpholin-4-ium is [O-][N+]1(S)CCOCC1.
What is the InChIKey of 4-oxido-4-sulfanylmorpholin-4-ium?
The InChIKey is LIGUOXADMPJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-5(8)1-3-7-4-2-5/h8H,1-4H2.
What are the key properties of 4-oxido-4-sulfanylmorpholin-4-ium?
4-oxido-4-sulfanylmorpholin-4-ium has a molecular weight of 135.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-4-sulfanylmorpholin-4-ium is sourced from PubChem (CID 87098429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).