[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid

C14H21NO4S — CID 159021674

IUPAC[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
SMILESCC(Cc1ccc(CS(=O)(=O)O)cc1)N1CCOCC1
InChIInChI=1S/C14H21NO4S/c1-12(15-6-8-19-9-7-15)10-13-2-4-14(5-3-13)11-20(16,17)18/h2-5,12H,6-11H2,1H3,(H,16,17,18)
InChIKeyLENPIQOSFMSYCR-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.34
Rot. Bonds5

About [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid

[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid (PubChem CID 159021674) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
PubChem CID159021674
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
SMILESCC(Cc1ccc(CS(=O)(=O)O)cc1)N1CCOCC1
InChIInChI=1S/C14H21NO4S/c1-12(15-6-8-19-9-7-15)10-13-2-4-14(5-3-13)11-20(16,17)18/h2-5,12H,6-11H2,1H3,(H,16,17,18)
InChIKeyLENPIQOSFMSYCR-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
methanesulfonic acid;3-morpholin-4-ylbutan-1-ol
CID 86743263
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
4-[(2R)-2-morpholin-4-ylpropyl]sulfonylaniline
CID 6939042
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
4-[1-[4-(1-ethylindol-3-yl)sulfanylphenyl]propan-2-yl]morpholine
CID 126576449
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid?
The IUPAC name of [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid (CID 159021674) is [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid.
What is the SMILES notation for [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid?
The canonical SMILES for [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid is CC(Cc1ccc(CS(=O)(=O)O)cc1)N1CCOCC1.
What is the InChIKey of [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid?
The InChIKey is LENPIQOSFMSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-12(15-6-8-19-9-7-15)10-13-2-4-14(5-3-13)11-20(16,17)18/h2-5,12H,6-11H2,1H3,(H,16,17,18).
What are the key properties of [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid?
[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid has a molecular weight of 299.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid is sourced from PubChem (CID 159021674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).