1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid

C12H21NO4S — CID 65054324

IUPAC1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)C1CCCC1N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4S/c1-18(16,17)11-6-2-5-10(11)13-7-3-4-9(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNNDRTNBVZUBAQR-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid

1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid (PubChem CID 65054324) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid
PubChem CID65054324
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)C1CCCC1N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4S/c1-18(16,17)11-6-2-5-10(11)13-7-3-4-9(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNNDRTNBVZUBAQR-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
CID 89024424
CID 89024424
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(3S)-1-tert-butylsulfonylpiperidine-3-carboxylic acid
CID 81126424
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid (CID 65054324) is 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid is CS(=O)(=O)C1CCCC1N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid?
The InChIKey is NNDRTNBVZUBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-18(16,17)11-6-2-5-10(11)13-7-3-4-9(8-13)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid?
1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65054324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).