2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

C13H23NO5S — CID 106586198

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESCOCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO5S/c1-19-9-10-4-3-7-14(8-10)20(17,18)12-6-2-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyMRZLZVPFQKJIOO-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.93
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (PubChem CID 106586198) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
PubChem CID106586198
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESCOCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO5S/c1-19-9-10-4-3-7-14(8-10)20(17,18)12-6-2-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyMRZLZVPFQKJIOO-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343075
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
CID 107215368
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (CID 106586198) is 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is COCC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is MRZLZVPFQKJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-19-9-10-4-3-7-14(8-10)20(17,18)12-6-2-5-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106586198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).