4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane

C11H24N2O4S — CID 121452096

IUPAC4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane
SMILESC1CN(COCOCN2CCOCC2)CCO1.S
InChIInChI=1S/C11H22N2O4.H2S/c1-5-14-6-2-12(1)9-16-11-17-10-13-3-7-15-8-4-13;/h1-11H2;1H2
InChIKeyADITUFWNHDZNKK-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.33
Rot. Bonds6

About 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane

4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane (PubChem CID 121452096) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane.

Molecular Properties

Compound Name4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane
PubChem CID121452096
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane
SMILESC1CN(COCOCN2CCOCC2)CCO1.S
InChIInChI=1S/C11H22N2O4.H2S/c1-5-14-6-2-12(1)9-16-11-17-10-13-3-7-15-8-4-13;/h1-11H2;1H2
InChIKeyADITUFWNHDZNKK-UHFFFAOYSA-N
XLogP-0.33
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(morpholin-4-ylmethyl)morpholine
CID 21839
2-morpholin-4-ylethanethiol;sulfane
CID 143821925
O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
CID 87439577
3-(2-methylpropoxymethyl)-1,3-oxazolidine
CID 154368992
1-(morpholin-4-ylmethoxy)ethoxyphosphane
CID 18713640
2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid
CID 57024182
4-(chloromethyl)morpholine;hydrate
CID 175868958
astatane;4-ethylmorpholine
CID 174883073
4-ethylmorpholine;hydron
CID 174383624
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
3-(pentoxymethyl)-1,3-oxazolidine
CID 164576907
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane?
The IUPAC name of 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane (CID 121452096) is 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane.
What is the SMILES notation for 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane?
The canonical SMILES for 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane is C1CN(COCOCN2CCOCC2)CCO1.S.
What is the InChIKey of 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane?
The InChIKey is ADITUFWNHDZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4.H2S/c1-5-14-6-2-12(1)9-16-11-17-10-13-3-7-15-8-4-13;/h1-11H2;1H2.
What are the key properties of 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane?
4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane has a molecular weight of 280.39 g/mol, XLogP of -0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane is sourced from PubChem (CID 121452096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).