1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid

C11H22N2O4S — CID 60859071

IUPAC1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCC(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-6-9(2)12-18(16,17)13-8-5-4-7-10(13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyCURCOPORAJGCKJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds6

About 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid

1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 60859071) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID60859071
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
SMILESCCCC(C)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-6-9(2)12-18(16,17)13-8-5-4-7-10(13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyCURCOPORAJGCKJ-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107864789
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid (CID 60859071) is 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid is CCCC(C)NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is CURCOPORAJGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-6-9(2)12-18(16,17)13-8-5-4-7-10(13)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid?
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 60859071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).