3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid

C9H17NO5S — CID 43372980

IUPAC3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid
SMILESCOC1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C9H17NO5S/c1-15-8-2-5-10(6-3-8)16(13,14)7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyWNOWJZZLTPDLAP-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds5

About 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid

3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 43372980) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid
PubChem CID43372980
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid
SMILESCOC1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C9H17NO5S/c1-15-8-2-5-10(6-3-8)16(13,14)7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyWNOWJZZLTPDLAP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid (CID 43372980) is 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid is COC1CCN(S(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is WNOWJZZLTPDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-15-8-2-5-10(6-3-8)16(13,14)7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid?
3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43372980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).