1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid

C12H22N2O5S — CID 60858772

IUPAC1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCCC1CN(S(=O)(=O)N2CCCCC2C(=O)O)CCO1
InChIInChI=1S/C12H22N2O5S/c1-2-10-9-13(7-8-19-10)20(17,18)14-6-4-3-5-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOFYMIFSUSIARMP-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.28
Rot. Bonds4

About 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid

1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 60858772) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID60858772
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCCC1CN(S(=O)(=O)N2CCCCC2C(=O)O)CCO1
InChIInChI=1S/C12H22N2O5S/c1-2-10-9-13(7-8-19-10)20(17,18)14-6-4-3-5-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOFYMIFSUSIARMP-UHFFFAOYSA-N
XLogP0.28
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 60858592
2-ethyl-4-ethylsulfonyl-1,4-oxazepane
CID 130485385
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 60857611
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 60858778
[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpiperidin-2-yl]methanamine
CID 124513908
(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide
CID 95154399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid (CID 60858772) is 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid is CCC1CN(S(=O)(=O)N2CCCCC2C(=O)O)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is OFYMIFSUSIARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-10-9-13(7-8-19-10)20(17,18)14-6-4-3-5-11(14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid?
1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 60858772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).