dilithium;4-benzylmorpholine;sulfite

C11H15Li2NO4S — CID 160525639

IUPACdilithium;4-benzylmorpholine;sulfite
SMILESO=S([O-])[O-].[Li+].[Li+].c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H15NO.2Li.H2O3S/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;;1-4(2)3/h1-5H,6-10H2;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyCQNWWAAGKDYDJL-UHFFFAOYSA-L
MW271.19 g/mol
LogP-5.48
Rot. Bonds2

About dilithium;4-benzylmorpholine;sulfite

dilithium;4-benzylmorpholine;sulfite (PubChem CID 160525639) has the molecular formula C11H15Li2NO4S and a molecular weight of 271.19 g/mol. Its IUPAC name is dilithium;4-benzylmorpholine;sulfite.

Molecular Properties

Compound Namedilithium;4-benzylmorpholine;sulfite
PubChem CID160525639
Molecular FormulaC11H15Li2NO4S
Molecular Weight271.19 g/mol
Exact Mass271.10
IUPAC Namedilithium;4-benzylmorpholine;sulfite
SMILESO=S([O-])[O-].[Li+].[Li+].c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H15NO.2Li.H2O3S/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;;1-4(2)3/h1-5H,6-10H2;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyCQNWWAAGKDYDJL-UHFFFAOYSA-L
XLogP-5.48
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-5.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10418954
8-benzyl-1,4,8-oxadiazecan-5-one
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4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
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N-benzyl-4-(morpholin-4-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of dilithium;4-benzylmorpholine;sulfite?
The IUPAC name of dilithium;4-benzylmorpholine;sulfite (CID 160525639) is dilithium;4-benzylmorpholine;sulfite.
What is the SMILES notation for dilithium;4-benzylmorpholine;sulfite?
The canonical SMILES for dilithium;4-benzylmorpholine;sulfite is O=S([O-])[O-].[Li+].[Li+].c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of dilithium;4-benzylmorpholine;sulfite?
The InChIKey is CQNWWAAGKDYDJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H15NO.2Li.H2O3S/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;;1-4(2)3/h1-5H,6-10H2;;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of dilithium;4-benzylmorpholine;sulfite?
dilithium;4-benzylmorpholine;sulfite has a molecular weight of 271.19 g/mol, XLogP of -5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4-benzylmorpholine;sulfite is sourced from PubChem (CID 160525639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).