2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid

C8H15NO5S — CID 43578571

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C8H15NO5S/c10-5-7-3-1-2-4-9(7)15(13,14)6-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyGOWIJKDUWBHZSK-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.75
Rot. Bonds4

About 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid

2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid (PubChem CID 43578571) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
PubChem CID43578571
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C8H15NO5S/c10-5-7-3-1-2-4-9(7)15(13,14)6-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyGOWIJKDUWBHZSK-UHFFFAOYSA-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

3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
CID 116636738
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
[1-(4-chlorobutylsulfonyl)piperidin-2-yl]methanol
CID 116814735
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]acetic acid
CID 63245000
3-[1-(methylsulfonylmethylsulfonyl)piperidin-2-yl]propanoic acid
CID 82839707
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
1-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60857643
2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
CID 61372468
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid (CID 43578571) is 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid?
The InChIKey is GOWIJKDUWBHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c10-5-7-3-1-2-4-9(7)15(13,14)6-8(11)12/h7,10H,1-6H2,(H,11,12).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid?
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic 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 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylacetic acid is sourced from PubChem (CID 43578571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).