3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid

C8H15NO5S — CID 93086343

IUPAC3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C8H15NO5S/c10-7-2-1-4-9(6-7)15(13,14)5-3-8(11)12/h7,10H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyLJGLULJHGFXQMW-ZETCQYMHSA-N
MW237.28 g/mol
LogP-0.75
Rot. Bonds4

About 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid

3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid (PubChem CID 93086343) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
PubChem CID93086343
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C8H15NO5S/c10-7-2-1-4-9(6-7)15(13,14)5-3-8(11)12/h7,10H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyLJGLULJHGFXQMW-ZETCQYMHSA-N
XLogP-0.75
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 43503064
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)propanoic acid
CID 65319025
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid (CID 93086343) is 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is LJGLULJHGFXQMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-7-2-1-4-9(6-7)15(13,14)5-3-8(11)12/h7,10H,1-6H2,(H,11,12)/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid?
3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 93086343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).