4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid

C9H17NO5S — CID 43503064

IUPAC4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C9H17NO5S/c11-8-3-1-5-10(7-8)16(14,15)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyVLSKPENSITXPAJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.36
Rot. Bonds5

About 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid

4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 43503064) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
PubChem CID43503064
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C9H17NO5S/c11-8-3-1-5-10(7-8)16(14,15)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyVLSKPENSITXPAJ-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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Related Compounds

3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
4-(3-ethoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 43104083
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
3-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]propanoic acid
CID 104937121
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid (CID 43503064) is 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is VLSKPENSITXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c11-8-3-1-5-10(7-8)16(14,15)6-2-4-9(12)13/h8,11H,1-7H2,(H,12,13).
What are the key properties of 4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
4-(3-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-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43503064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).