1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid

C9H15NO6S — CID 61358754

IUPAC1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO6S/c1-16-8(11)6-17(14,15)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeySDAOVJCLJBKYTM-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.71
Rot. Bonds4

About 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid

1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 61358754) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID61358754
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO6S/c1-16-8(11)6-17(14,15)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeySDAOVJCLJBKYTM-UHFFFAOYSA-N
XLogP-0.71
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid
CID 75422241
Ethyl 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylate
CID 82898139

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid (CID 61358754) is 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid is COC(=O)CS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is SDAOVJCLJBKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-8(11)6-17(14,15)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid?
1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 61358754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).