3-piperidin-3-ylsulfonylpropanoic acid

C8H15NO4S — CID 84755096

IUPAC3-piperidin-3-ylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C8H15NO4S/c10-8(11)3-5-14(12,13)7-2-1-4-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeySTNXTGRCDBIEFI-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.37
Rot. Bonds4

About 3-piperidin-3-ylsulfonylpropanoic acid

3-piperidin-3-ylsulfonylpropanoic acid (PubChem CID 84755096) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-piperidin-3-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-piperidin-3-ylsulfonylpropanoic acid
PubChem CID84755096
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-piperidin-3-ylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C8H15NO4S/c10-8(11)3-5-14(12,13)7-2-1-4-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKeySTNXTGRCDBIEFI-UHFFFAOYSA-N
XLogP-0.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-piperidin-3-ylsulfonylacetamide
CID 84755061
3-prop-2-ynylsulfonylpiperidine
CID 84755128
3-(4-methylcyclohexyl)sulfonylpropanoic acid
CID 10752174
5-cyclohexylsulfonylpentanoic acid
CID 60872104
3-cyclobutylsulfonylpiperidine
CID 115070306
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
CID 63638842
3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
CID 115070423
N-(4-chlorophenyl)-2-piperidin-3-ylsulfonylacetamide
CID 84755057
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylsulfonylpropanoic acid?
The IUPAC name of 3-piperidin-3-ylsulfonylpropanoic acid (CID 84755096) is 3-piperidin-3-ylsulfonylpropanoic acid.
What is the SMILES notation for 3-piperidin-3-ylsulfonylpropanoic acid?
The canonical SMILES for 3-piperidin-3-ylsulfonylpropanoic acid is O=C(O)CCS(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-ylsulfonylpropanoic acid?
The InChIKey is STNXTGRCDBIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8(11)3-5-14(12,13)7-2-1-4-9-6-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-piperidin-3-ylsulfonylpropanoic acid?
3-piperidin-3-ylsulfonylpropanoic acid has a molecular weight of 221.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylsulfonylpropanoic acid is sourced from PubChem (CID 84755096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).