4-morpholin-4-ylbutane-1-sulfonic acid

C8H17NO4S — CID 3674064

IUPAC4-morpholin-4-ylbutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h1-8H2,(H,10,11,12)
InChIKeyVTOWJTPBPWTSMK-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.01
Rot. Bonds5

About 4-morpholin-4-ylbutane-1-sulfonic acid

4-morpholin-4-ylbutane-1-sulfonic acid (PubChem CID 3674064) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-morpholin-4-ylbutane-1-sulfonic acid.

Molecular Properties

Compound Name4-morpholin-4-ylbutane-1-sulfonic acid
PubChem CID3674064
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-morpholin-4-ylbutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h1-8H2,(H,10,11,12)
InChIKeyVTOWJTPBPWTSMK-UHFFFAOYSA-N
XLogP-0.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutane-1-sulfonic acid?
The IUPAC name of 4-morpholin-4-ylbutane-1-sulfonic acid (CID 3674064) is 4-morpholin-4-ylbutane-1-sulfonic acid.
What is the SMILES notation for 4-morpholin-4-ylbutane-1-sulfonic acid?
The canonical SMILES for 4-morpholin-4-ylbutane-1-sulfonic acid is O=S(=O)(O)CCCCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutane-1-sulfonic acid?
The InChIKey is VTOWJTPBPWTSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h1-8H2,(H,10,11,12).
What are the key properties of 4-morpholin-4-ylbutane-1-sulfonic acid?
4-morpholin-4-ylbutane-1-sulfonic acid has a molecular weight of 223.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutane-1-sulfonic acid is sourced from PubChem (CID 3674064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).