3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid

C10H19NO5S — CID 106586181

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCOCC1CCCN(S(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-16-8-9-3-2-5-11(7-9)17(14,15)6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyMSUBQZCTESQKMW-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.15
Rot. Bonds6

About 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 106586181) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID106586181
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCOCC1CCCN(S(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-16-8-9-3-2-5-11(7-9)17(14,15)6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyMSUBQZCTESQKMW-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
3-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]propanoic acid
CID 104937121
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 106586198
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 106813726
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 79594109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid (CID 106586181) is 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid is COCC1CCCN(S(=O)(=O)CCC(=O)O)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is MSUBQZCTESQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-16-8-9-3-2-5-11(7-9)17(14,15)6-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid?
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 106586181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).