2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid

C11H20N2O5S — CID 62302875

IUPAC2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCCS(N)(=O)=O)C(C)C1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-7-6-9(14)13(4-3-5-19(12,17)18)8(2)10(7)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18)
InChIKeyCESRHHPKFPVPPV-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.38
Rot. Bonds5

About 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid (PubChem CID 62302875) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
PubChem CID62302875
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCCS(N)(=O)=O)C(C)C1C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-7-6-9(14)13(4-3-5-19(12,17)18)8(2)10(7)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18)
InChIKeyCESRHHPKFPVPPV-UHFFFAOYSA-N
XLogP-0.38
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302258
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 63316003
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 62302255
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303080
1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 64916058
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 104765879

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid (CID 62302875) is 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid is CC1CC(=O)N(CCCS(N)(=O)=O)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid?
The InChIKey is CESRHHPKFPVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-7-6-9(14)13(4-3-5-19(12,17)18)8(2)10(7)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62302875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).