1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid

C11H22N2O6S2 — CID 79561600

IUPAC1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)(CNS(=O)(=O)N1CCCCC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-11(2,20(3,16)17)8-12-21(18,19)13-7-5-4-6-9(13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYXVZWLZWNNNRIJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.42
Rot. Bonds6

About 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid

1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 79561600) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID79561600
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC Name1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)(CNS(=O)(=O)N1CCCCC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-11(2,20(3,16)17)8-12-21(18,19)13-7-5-4-6-9(13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYXVZWLZWNNNRIJ-UHFFFAOYSA-N
XLogP-0.42
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946
1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-2-carboxylic acid
CID 122070160
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
CID 107151259
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859421
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid (CID 79561600) is 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid is CC(C)(CNS(=O)(=O)N1CCCCC1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is YXVZWLZWNNNRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-11(2,20(3,16)17)8-12-21(18,19)13-7-5-4-6-9(13)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).