6-morpholin-4-ylhexane-1-sulfonic acid

C10H21NO4S — CID 18415249

IUPAC6-morpholin-4-ylhexane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCN1CCOCC1
InChIInChI=1S/C10H21NO4S/c12-16(13,14)10-4-2-1-3-5-11-6-8-15-9-7-11/h1-10H2,(H,12,13,14)
InChIKeyDGZSRBSXRCBBSC-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.77
Rot. Bonds7

About 6-morpholin-4-ylhexane-1-sulfonic acid

6-morpholin-4-ylhexane-1-sulfonic acid (PubChem CID 18415249) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-morpholin-4-ylhexane-1-sulfonic acid.

Molecular Properties

Compound Name6-morpholin-4-ylhexane-1-sulfonic acid
PubChem CID18415249
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name6-morpholin-4-ylhexane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCN1CCOCC1
InChIInChI=1S/C10H21NO4S/c12-16(13,14)10-4-2-1-3-5-11-6-8-15-9-7-11/h1-10H2,(H,12,13,14)
InChIKeyDGZSRBSXRCBBSC-UHFFFAOYSA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.77
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 6-morpholin-4-ylhexane-1-sulfonic acid?
The IUPAC name of 6-morpholin-4-ylhexane-1-sulfonic acid (CID 18415249) is 6-morpholin-4-ylhexane-1-sulfonic acid.
What is the SMILES notation for 6-morpholin-4-ylhexane-1-sulfonic acid?
The canonical SMILES for 6-morpholin-4-ylhexane-1-sulfonic acid is O=S(=O)(O)CCCCCCN1CCOCC1.
What is the InChIKey of 6-morpholin-4-ylhexane-1-sulfonic acid?
The InChIKey is DGZSRBSXRCBBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c12-16(13,14)10-4-2-1-3-5-11-6-8-15-9-7-11/h1-10H2,(H,12,13,14).
What are the key properties of 6-morpholin-4-ylhexane-1-sulfonic acid?
6-morpholin-4-ylhexane-1-sulfonic acid has a molecular weight of 251.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylhexane-1-sulfonic acid is sourced from PubChem (CID 18415249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).