1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

C13H24N2O4S — CID 60857611

IUPAC1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCCC1CCCCN1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4S/c1-2-12-7-3-4-9-15(12)20(18,19)14-8-5-6-11(10-14)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLOZOVXFHYDZBRX-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 60857611) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID60857611
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCCC1CCCCN1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4S/c1-2-12-7-3-4-9-15(12)20(18,19)14-8-5-6-11(10-14)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLOZOVXFHYDZBRX-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60857643
1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 60859251
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 60857611) is 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is CCC1CCCCN1S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is LOZOVXFHYDZBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-12-7-3-4-9-15(12)20(18,19)14-8-5-6-11(10-14)13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 60857611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).