3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid

C13H24N2O6S — CID 72922447

IUPAC3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O6S/c1-20-8-4-13(12(16)17)3-2-5-15(11-13)22(18,19)14-6-9-21-10-7-14/h2-11H2,1H3,(H,16,17)
InChIKeyBYPMHCZYCAPKMW-UHFFFAOYSA-N
MW336.41 g/mol
LogP-0.23
Rot. Bonds6

About 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 72922447) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID72922447
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O6S/c1-20-8-4-13(12(16)17)3-2-5-15(11-13)22(18,19)14-6-9-21-10-7-14/h2-11H2,1H3,(H,16,17)
InChIKeyBYPMHCZYCAPKMW-UHFFFAOYSA-N
XLogP-0.23
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 97131494
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
[(3R)-1-(azepan-1-ylsulfonyl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97142125
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid (CID 72922447) is 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is BYPMHCZYCAPKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S/c1-20-8-4-13(12(16)17)3-2-5-15(11-13)22(18,19)14-6-9-21-10-7-14/h2-11H2,1H3,(H,16,17).
What are the key properties of 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 72922447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).