3,3,3-trimorpholin-4-ylpropyl sulfite

C15H28N3O6S- — CID 91431130

IUPAC3,3,3-trimorpholin-4-ylpropyl sulfite
SMILESO=S([O-])OCCC(N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H29N3O6S/c19-25(20)24-8-1-15(16-2-9-21-10-3-16,17-4-11-22-12-5-17)18-6-13-23-14-7-18/h1-14H2,(H,19,20)/p-1
InChIKeyKFWOYDQYWDAZJK-UHFFFAOYSA-M
MW378.47 g/mol
LogP-1.16
Rot. Bonds7

About 3,3,3-trimorpholin-4-ylpropyl sulfite

3,3,3-trimorpholin-4-ylpropyl sulfite (PubChem CID 91431130) has the molecular formula C15H28N3O6S- and a molecular weight of 378.47 g/mol. Its IUPAC name is 3,3,3-trimorpholin-4-ylpropyl sulfite.

Molecular Properties

Compound Name3,3,3-trimorpholin-4-ylpropyl sulfite
PubChem CID91431130
Molecular FormulaC15H28N3O6S-
Molecular Weight378.47 g/mol
Exact Mass378.17
IUPAC Name3,3,3-trimorpholin-4-ylpropyl sulfite
SMILESO=S([O-])OCCC(N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H29N3O6S/c19-25(20)24-8-1-15(16-2-9-21-10-3-16,17-4-11-22-12-5-17)18-6-13-23-14-7-18/h1-14H2,(H,19,20)/p-1
InChIKeyKFWOYDQYWDAZJK-UHFFFAOYSA-M
XLogP-1.16
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trimorpholin-4-ylpropyl sulfite?
The IUPAC name of 3,3,3-trimorpholin-4-ylpropyl sulfite (CID 91431130) is 3,3,3-trimorpholin-4-ylpropyl sulfite.
What is the SMILES notation for 3,3,3-trimorpholin-4-ylpropyl sulfite?
The canonical SMILES for 3,3,3-trimorpholin-4-ylpropyl sulfite is O=S([O-])OCCC(N1CCOCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 3,3,3-trimorpholin-4-ylpropyl sulfite?
The InChIKey is KFWOYDQYWDAZJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H29N3O6S/c19-25(20)24-8-1-15(16-2-9-21-10-3-16,17-4-11-22-12-5-17)18-6-13-23-14-7-18/h1-14H2,(H,19,20)/p-1.
What are the key properties of 3,3,3-trimorpholin-4-ylpropyl sulfite?
3,3,3-trimorpholin-4-ylpropyl sulfite has a molecular weight of 378.47 g/mol, XLogP of -1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trimorpholin-4-ylpropyl sulfite is sourced from PubChem (CID 91431130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).