5-morpholin-4-ylsulfonylpentanoic acid

C9H17NO5S — CID 28704899

IUPAC5-morpholin-4-ylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO5S/c11-9(12)3-1-2-8-16(13,14)10-4-6-15-7-5-10/h1-8H2,(H,11,12)
InChIKeySPKBRTSIBNEIOF-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds6

About 5-morpholin-4-ylsulfonylpentanoic acid

5-morpholin-4-ylsulfonylpentanoic acid (PubChem CID 28704899) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonylpentanoic acid.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonylpentanoic acid
PubChem CID28704899
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name5-morpholin-4-ylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO5S/c11-9(12)3-1-2-8-16(13,14)10-4-6-15-7-5-10/h1-8H2,(H,11,12)
InChIKeySPKBRTSIBNEIOF-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonylpentanoic acid?
The IUPAC name of 5-morpholin-4-ylsulfonylpentanoic acid (CID 28704899) is 5-morpholin-4-ylsulfonylpentanoic acid.
What is the SMILES notation for 5-morpholin-4-ylsulfonylpentanoic acid?
The canonical SMILES for 5-morpholin-4-ylsulfonylpentanoic acid is O=C(O)CCCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylsulfonylpentanoic acid?
The InChIKey is SPKBRTSIBNEIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c11-9(12)3-1-2-8-16(13,14)10-4-6-15-7-5-10/h1-8H2,(H,11,12).
What are the key properties of 5-morpholin-4-ylsulfonylpentanoic acid?
5-morpholin-4-ylsulfonylpentanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonylpentanoic acid is sourced from PubChem (CID 28704899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).