2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid

C10H19NO5S — CID 63876688

IUPAC2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESCCCS(=O)(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXFRAYKSGFBJHCD-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds6

About 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid

2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid (PubChem CID 63876688) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid
PubChem CID63876688
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESCCCS(=O)(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H19NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXFRAYKSGFBJHCD-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
2-(3-propylsulfonyl-3-azaspiro[5.5]undecan-9-yl)acetic acid
CID 166273848
methyl 4-(4-ethoxypiperidin-1-yl)sulfonylbutanoate
CID 61460355
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid (CID 63876688) is 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid is CCCS(=O)(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid?
The InChIKey is XFRAYKSGFBJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-7-17(14,15)11-5-3-9(4-6-11)16-8-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid?
2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 63876688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).