4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid

C11H21NO5S — CID 63125575

IUPAC4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)CCOC)CC1
InChIInChI=1S/C11H21NO5S/c1-3-11(10(13)14)4-6-12(7-5-11)18(15,16)9-8-17-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyPCPUVBNVVBRDTM-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.54
Rot. Bonds6

About 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 63125575) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
PubChem CID63125575
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)CCOC)CC1
InChIInChI=1S/C11H21NO5S/c1-3-11(10(13)14)4-6-12(7-5-11)18(15,16)9-8-17-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyPCPUVBNVVBRDTM-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

3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
1-butylsulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149529
3-ethyl-1-(4-methoxy-4-oxobutyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149366
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
CID 63125441
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 103990319
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid (CID 63125575) is 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)CCOC)CC1.
What is the InChIKey of 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is PCPUVBNVVBRDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-11(10(13)14)4-6-12(7-5-11)18(15,16)9-8-17-2/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-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 4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).