2-(4-methylsulfonylpiperidin-4-yl)acetic acid

C8H15NO4S — CID 84686759

IUPAC2-(4-methylsulfonylpiperidin-4-yl)acetic acid
SMILESCS(=O)(=O)C1(CC(=O)O)CCNCC1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)8(6-7(10)11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyAFELPWMVRFSFOM-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.37
Rot. Bonds3

About 2-(4-methylsulfonylpiperidin-4-yl)acetic acid

2-(4-methylsulfonylpiperidin-4-yl)acetic acid (PubChem CID 84686759) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperidin-4-yl)acetic acid
PubChem CID84686759
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(4-methylsulfonylpiperidin-4-yl)acetic acid
SMILESCS(=O)(=O)C1(CC(=O)O)CCNCC1
InChIInChI=1S/C8H15NO4S/c1-14(12,13)8(6-7(10)11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyAFELPWMVRFSFOM-UHFFFAOYSA-N
XLogP-0.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
2-(1-ethylsulfonylcyclopropyl)acetic acid
CID 115019032
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
CID 70955898
N-hydroxy-4-methylsulfonylpiperidine-4-carboxamide
CID 18723267
4-ethylsulfonyl-4-(methoxymethyl)piperidine
CID 99997180
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614
2-(1-methylsulfonyloxycyclopropyl)acetic acid
CID 11816387
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 114696709
[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
CID 106734295

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(4-methylsulfonylpiperidin-4-yl)acetic acid (CID 84686759) is 2-(4-methylsulfonylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methylsulfonylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(4-methylsulfonylpiperidin-4-yl)acetic acid is CS(=O)(=O)C1(CC(=O)O)CCNCC1.
What is the InChIKey of 2-(4-methylsulfonylpiperidin-4-yl)acetic acid?
The InChIKey is AFELPWMVRFSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-14(12,13)8(6-7(10)11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylsulfonylpiperidin-4-yl)acetic acid?
2-(4-methylsulfonylpiperidin-4-yl)acetic acid has a molecular weight of 221.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 84686759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).