2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

C12H21NO5S — CID 103343565

IUPAC2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCOC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO5S/c1-18-9-4-3-7-13(8-9)19(16,17)11-6-2-5-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyKWYYWEHHEQEEFS-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.68
Rot. Bonds4

About 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103343565) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103343565
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCOC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO5S/c1-18-9-4-3-7-13(8-9)19(16,17)11-6-2-5-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyKWYYWEHHEQEEFS-UHFFFAOYSA-N
XLogP0.68
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 106586198
2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343075
2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
CID 107215368
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103343565) is 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is COC1CCCN(S(=O)(=O)C2CCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is KWYYWEHHEQEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-18-9-4-3-7-13(8-9)19(16,17)11-6-2-5-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).