5-hydroxy-2-methylbenzenesulfonic acid;morpholine

C11H17NO5S — CID 88713946

IUPAC5-hydroxy-2-methylbenzenesulfonic acid;morpholine
SMILESC1COCCN1.Cc1ccc(O)cc1S(=O)(=O)O
InChIInChI=1S/C7H8O4S.C4H9NO/c1-5-2-3-6(8)4-7(5)12(9,10)11;1-3-6-4-2-5-1/h2-4,8H,1H3,(H,9,10,11);5H,1-4H2
InChIKeyYPCFDFCTMMIMCJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.55
Rot. Bonds1

About 5-hydroxy-2-methylbenzenesulfonic acid;morpholine

5-hydroxy-2-methylbenzenesulfonic acid;morpholine (PubChem CID 88713946) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-hydroxy-2-methylbenzenesulfonic acid;morpholine.

Molecular Properties

Compound Name5-hydroxy-2-methylbenzenesulfonic acid;morpholine
PubChem CID88713946
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name5-hydroxy-2-methylbenzenesulfonic acid;morpholine
SMILESC1COCCN1.Cc1ccc(O)cc1S(=O)(=O)O
InChIInChI=1S/C7H8O4S.C4H9NO/c1-5-2-3-6(8)4-7(5)12(9,10)11;1-3-6-4-2-5-1/h2-4,8H,1H3,(H,9,10,11);5H,1-4H2
InChIKeyYPCFDFCTMMIMCJ-UHFFFAOYSA-N
XLogP0.55
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylbenzenesulfonic acid;morpholine?
The IUPAC name of 5-hydroxy-2-methylbenzenesulfonic acid;morpholine (CID 88713946) is 5-hydroxy-2-methylbenzenesulfonic acid;morpholine.
What is the SMILES notation for 5-hydroxy-2-methylbenzenesulfonic acid;morpholine?
The canonical SMILES for 5-hydroxy-2-methylbenzenesulfonic acid;morpholine is C1COCCN1.Cc1ccc(O)cc1S(=O)(=O)O.
What is the InChIKey of 5-hydroxy-2-methylbenzenesulfonic acid;morpholine?
The InChIKey is YPCFDFCTMMIMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S.C4H9NO/c1-5-2-3-6(8)4-7(5)12(9,10)11;1-3-6-4-2-5-1/h2-4,8H,1H3,(H,9,10,11);5H,1-4H2.
What are the key properties of 5-hydroxy-2-methylbenzenesulfonic acid;morpholine?
5-hydroxy-2-methylbenzenesulfonic acid;morpholine has a molecular weight of 275.33 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylbenzenesulfonic acid;morpholine is sourced from PubChem (CID 88713946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).