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

C11H22N2O5S — CID 114814574

IUPAC3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C11H22N2O5S/c1-3-11(10(14)15)5-4-7-13(9-11)19(16,17)12-6-8-18-2/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyKYKFHAIHROOANP-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.04
Rot. Bonds7

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

3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 114814574) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID114814574
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C11H22N2O5S/c1-3-11(10(14)15)5-4-7-13(9-11)19(16,17)12-6-8-18-2/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyKYKFHAIHROOANP-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
CID 72922447
(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 97131494
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid (CID 114814574) is 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(S(=O)(=O)NCCOC)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is KYKFHAIHROOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-11(10(14)15)5-4-7-13(9-11)19(16,17)12-6-8-18-2/h12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114814574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).