2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid

C10H17NO5S — CID 79673584

IUPAC2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESC=CCS(=O)(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H17NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h2,9H,1,3-8H2,(H,12,13)
InChIKeyRFJLHFOLCVRHFB-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.07
Rot. Bonds6

About 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid

2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid (PubChem CID 79673584) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
PubChem CID79673584
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESC=CCS(=O)(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H17NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h2,9H,1,3-8H2,(H,12,13)
InChIKeyRFJLHFOLCVRHFB-UHFFFAOYSA-N
XLogP0.07
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63876688
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
CID 79672711
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826
2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid (CID 79673584) is 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid is C=CCS(=O)(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid?
The InChIKey is RFJLHFOLCVRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h2,9H,1,3-8H2,(H,12,13).
What are the key properties of 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid?
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid has a molecular weight of 263.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 79673584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).