1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid

C11H19NO6S — CID 55177374

IUPAC1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-3-18-9(13)8-19(16,17)12-6-4-11(2,5-7-12)10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyIHFRLAPIBHMHRV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.07
Rot. Bonds5

About 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid

1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 55177374) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
PubChem CID55177374
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19NO6S/c1-3-18-9(13)8-19(16,17)12-6-4-11(2,5-7-12)10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyIHFRLAPIBHMHRV-UHFFFAOYSA-N
XLogP0.07
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
1-(2-ethoxy-2-oxoethyl)sulfonyl-2-propylpyrrolidine-2-carboxylic acid
CID 106977413
ethyl 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]sulfonylacetate
CID 63341432
ethyl 2-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]acetate
CID 55135460
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
CID 115304847
ethyl 2-[4-(1-cyanoethyl)piperazin-1-yl]sulfonylacetate
CID 55202346

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid (CID 55177374) is 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is CCOC(=O)CS(=O)(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is IHFRLAPIBHMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-3-18-9(13)8-19(16,17)12-6-4-11(2,5-7-12)10(14)15/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid?
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55177374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).