3-morpholin-4-ylpentane-3-sulfonic acid

C9H19NO4S — CID 141453973

IUPAC3-morpholin-4-ylpentane-3-sulfonic acid
SMILESCCC(CC)(N1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-9(4-2,15(11,12)13)10-5-7-14-8-6-10/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyLYVQZYPIGXLIEO-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.72
Rot. Bonds4

About 3-morpholin-4-ylpentane-3-sulfonic acid

3-morpholin-4-ylpentane-3-sulfonic acid (PubChem CID 141453973) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-morpholin-4-ylpentane-3-sulfonic acid.

Molecular Properties

Compound Name3-morpholin-4-ylpentane-3-sulfonic acid
PubChem CID141453973
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-morpholin-4-ylpentane-3-sulfonic acid
SMILESCCC(CC)(N1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C9H19NO4S/c1-3-9(4-2,15(11,12)13)10-5-7-14-8-6-10/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyLYVQZYPIGXLIEO-UHFFFAOYSA-N
XLogP0.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
CID 10130749
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
1-fluoro-2,3-dimethyl-3-morpholin-4-ylsulfonylpentane-2-sulfonic acid
CID 126656707
ethane;ethanesulfonic acid;morpholine-4-sulfonic acid
CID 175108255
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149
4-methylmorpholine;sulfuric acid
CID 146295231
2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
CID 126656739
2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid
CID 82183293
4,4-difluoro-3-methyl-5-morpholin-4-ylsulfonylheptane-3-sulfonic acid
CID 89233419
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
4-(3,5,5-trimethylhexan-3-yl)morpholine
CID 123863287

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpentane-3-sulfonic acid?
The IUPAC name of 3-morpholin-4-ylpentane-3-sulfonic acid (CID 141453973) is 3-morpholin-4-ylpentane-3-sulfonic acid.
What is the SMILES notation for 3-morpholin-4-ylpentane-3-sulfonic acid?
The canonical SMILES for 3-morpholin-4-ylpentane-3-sulfonic acid is CCC(CC)(N1CCOCC1)S(=O)(=O)O.
What is the InChIKey of 3-morpholin-4-ylpentane-3-sulfonic acid?
The InChIKey is LYVQZYPIGXLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-9(4-2,15(11,12)13)10-5-7-14-8-6-10/h3-8H2,1-2H3,(H,11,12,13).
What are the key properties of 3-morpholin-4-ylpentane-3-sulfonic acid?
3-morpholin-4-ylpentane-3-sulfonic acid has a molecular weight of 237.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpentane-3-sulfonic acid is sourced from PubChem (CID 141453973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).