4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid

C9H17NO5S — CID 28773569

IUPAC4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C9H17NO5S/c11-8-3-5-10(6-4-8)16(14,15)7-1-2-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyUTTQKTDZOQLGAL-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.36
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid

4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 28773569) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
PubChem CID28773569
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C9H17NO5S/c11-8-3-5-10(6-4-8)16(14,15)7-1-2-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyUTTQKTDZOQLGAL-UHFFFAOYSA-N
XLogP-0.36
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid (CID 28773569) is 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is UTTQKTDZOQLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c11-8-3-5-10(6-4-8)16(14,15)7-1-2-9(12)13/h8,11H,1-7H2,(H,12,13).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 28773569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).