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

C11H20N2O5S — CID 114111695

IUPAC1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O5S/c1-2-19(17,18)7-5-12-11(16)13-6-3-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyRQWWEMONQFZUNY-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.07
Rot. Bonds5

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

1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 114111695) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID114111695
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O5S/c1-2-19(17,18)7-5-12-11(16)13-6-3-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyRQWWEMONQFZUNY-UHFFFAOYSA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid (CID 114111695) is 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is CCS(=O)(=O)CCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is RQWWEMONQFZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-2-19(17,18)7-5-12-11(16)13-6-3-4-9(8-13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114111695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).