2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid

C7H13NO5S — CID 43503049

IUPAC2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C7H13NO5S/c9-6-2-1-3-8(4-6)14(12,13)5-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyGOMZDDVBUPDMDJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.14
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid

2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid (PubChem CID 43503049) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
PubChem CID43503049
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C7H13NO5S/c9-6-2-1-3-8(4-6)14(12,13)5-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyGOMZDDVBUPDMDJ-UHFFFAOYSA-N
XLogP-1.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 43503064
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
2-(azetidin-1-ylsulfonyl)acetic acid
CID 43440211
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
1-(2-methylbutylsulfonyl)piperidin-3-ol
CID 111439844
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid (CID 43503049) is 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid?
The InChIKey is GOMZDDVBUPDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c9-6-2-1-3-8(4-6)14(12,13)5-7(10)11/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid?
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid has a molecular weight of 223.25 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 43503049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).