4-morpholin-4-ylbutyl sulfite

C8H16NO4S- — CID 91525212

IUPAC4-morpholin-4-ylbutyl sulfite
SMILESO=S([O-])OCCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S/c10-14(11)13-6-2-1-3-9-4-7-12-8-5-9/h1-8H2,(H,10,11)/p-1
InChIKeyCMKHGPYUVQGEJO-UHFFFAOYSA-M
MW222.29 g/mol
LogP-0.09
Rot. Bonds6

About 4-morpholin-4-ylbutyl sulfite

4-morpholin-4-ylbutyl sulfite (PubChem CID 91525212) has the molecular formula C8H16NO4S- and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-morpholin-4-ylbutyl sulfite.

Molecular Properties

Compound Name4-morpholin-4-ylbutyl sulfite
PubChem CID91525212
Molecular FormulaC8H16NO4S-
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Name4-morpholin-4-ylbutyl sulfite
SMILESO=S([O-])OCCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S/c10-14(11)13-6-2-1-3-9-4-7-12-8-5-9/h1-8H2,(H,10,11)/p-1
InChIKeyCMKHGPYUVQGEJO-UHFFFAOYSA-M
XLogP-0.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-piperazin-1-ylbutyl sulfite
CID 57144560
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
4-morpholin-4-ylbutyl hypoiodite
CID 166765494
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-(4-ethoxybutyl)morpholine
CID 10726253
3-(4-phenylpiperazin-1-yl)propyl sulfite
CID 174503214
3,3,3-trimorpholin-4-ylpropyl sulfite
CID 91431130
azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
CID 174892913
20-morpholin-4-ylicosan-1-ol
CID 58205553
9-morpholin-4-ylnonan-1-ol
CID 58205558
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutyl sulfite?
The IUPAC name of 4-morpholin-4-ylbutyl sulfite (CID 91525212) is 4-morpholin-4-ylbutyl sulfite.
What is the SMILES notation for 4-morpholin-4-ylbutyl sulfite?
The canonical SMILES for 4-morpholin-4-ylbutyl sulfite is O=S([O-])OCCCCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutyl sulfite?
The InChIKey is CMKHGPYUVQGEJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO4S/c10-14(11)13-6-2-1-3-9-4-7-12-8-5-9/h1-8H2,(H,10,11)/p-1.
What are the key properties of 4-morpholin-4-ylbutyl sulfite?
4-morpholin-4-ylbutyl sulfite has a molecular weight of 222.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutyl sulfite is sourced from PubChem (CID 91525212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).