1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

C14H24N2O5S — CID 119137754

IUPAC1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O5S/c1-2-22(20,21)15-8-5-6-11(10-15)13(17)16-9-4-3-7-12(16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyTYFWAZKESODBJA-UHFFFAOYSA-N
MW332.42 g/mol
LogP0.51
Rot. Bonds4

About 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119137754) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID119137754
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O5S/c1-2-22(20,21)15-8-5-6-11(10-15)13(17)16-9-4-3-7-12(16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyTYFWAZKESODBJA-UHFFFAOYSA-N
XLogP0.51
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611
(2R)-1-[(3S)-1-(3-methylsulfonylazetidin-1-yl)sulfonylpiperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 138466850
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 126819210
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 75428768
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (CID 119137754) is 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is CCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is TYFWAZKESODBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-2-22(20,21)15-8-5-6-11(10-15)13(17)16-9-4-3-7-12(16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 332.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).