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

C11H19NO6S — CID 114422077

IUPAC1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-3-18-10(13)7-19(16,17)12-5-4-8(2)6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyDGZXCXKMGHRYDV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.06
Rot. Bonds5

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

1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422077) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
PubChem CID114422077
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-3-18-10(13)7-19(16,17)12-5-4-8(2)6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyDGZXCXKMGHRYDV-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid (CID 114422077) is 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid is CCOC(=O)CS(=O)(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
The InChIKey is DGZXCXKMGHRYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-3-18-10(13)7-19(16,17)12-5-4-8(2)6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid?
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 0.06, 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-2-carboxylic acid is sourced from PubChem (CID 114422077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).