2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid

C12H21NO6S — CID 63877001

IUPAC2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H21NO6S/c14-12(15)8-19-10-3-5-13(6-4-10)20(16,17)9-11-2-1-7-18-11/h10-11H,1-9H2,(H,14,15)
InChIKeyUCJLYYJAWGVWPH-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.06
Rot. Bonds6

About 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid

2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63877001) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63877001
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H21NO6S/c14-12(15)8-19-10-3-5-13(6-4-10)20(16,17)9-11-2-1-7-18-11/h10-11H,1-9H2,(H,14,15)
InChIKeyUCJLYYJAWGVWPH-UHFFFAOYSA-N
XLogP0.06
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
2-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813775
3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid (CID 63877001) is 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(S(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is UCJLYYJAWGVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c14-12(15)8-19-10-3-5-13(6-4-10)20(16,17)9-11-2-1-7-18-11/h10-11H,1-9H2,(H,14,15).
What are the key properties of 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 307.37 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63877001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).