3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid

C11H21NO5S — CID 63136190

IUPAC3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)CCOC)C1
InChIInChI=1S/C11H21NO5S/c1-3-11(10(13)14)5-4-6-12(9-11)18(15,16)8-7-17-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyIRVACNVPCKSEOI-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.54
Rot. Bonds6

About 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 63136190) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID63136190
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)CCOC)C1
InChIInChI=1S/C11H21NO5S/c1-3-11(10(13)14)5-4-6-12(9-11)18(15,16)8-7-17-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyIRVACNVPCKSEOI-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
1-butylsulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149529
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
3-ethyl-1-(4-methoxy-4-oxobutyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149366
1-(2-methylsulfonylethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 63245394
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
CID 72922447

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid (CID 63136190) is 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(S(=O)(=O)CCOC)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is IRVACNVPCKSEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-11(10(13)14)5-4-6-12(9-11)18(15,16)8-7-17-2/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).