4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid

C12H21NO6S — CID 63125441

IUPAC4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)C(C)C(=O)OC)CC1
InChIInChI=1S/C12H21NO6S/c1-4-12(11(15)16)5-7-13(8-6-12)20(17,18)9(2)10(14)19-3/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyVCTCAHLRHNZJJY-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.45
Rot. Bonds5

About 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid

4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 63125441) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID63125441
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)C(C)C(=O)OC)CC1
InChIInChI=1S/C12H21NO6S/c1-4-12(11(15)16)5-7-13(8-6-12)20(17,18)9(2)10(14)19-3/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyVCTCAHLRHNZJJY-UHFFFAOYSA-N
XLogP0.45
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate
CID 78931824
methyl 2-(4-sulfamoylpiperazin-1-yl)sulfonylpropanoate
CID 61459480
methyl 2-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylpropanoate
CID 107161355
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
3-ethyl-1-(4-methoxy-4-oxobutyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149366
methyl 2-(3,5-dimethylpiperazin-1-yl)sulfonylpropanoate
CID 63873879
methyl 2-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 103976029
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid (CID 63125441) is 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)C(C)C(=O)OC)CC1.
What is the InChIKey of 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is VCTCAHLRHNZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c1-4-12(11(15)16)5-7-13(8-6-12)20(17,18)9(2)10(14)19-3/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid?
4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).