1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid

C13H26N2O5S — CID 107151259

IUPAC1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(O)CNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H26N2O5S/c1-13(2,3)8-10(16)9-14-21(19,20)15-7-5-4-6-11(15)12(17)18/h10-11,14,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyWUGIENPGOMVCBI-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.56
Rot. Bonds6

About 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid

1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 107151259) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID107151259
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)CC(O)CNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H26N2O5S/c1-13(2,3)8-10(16)9-14-21(19,20)15-7-5-4-6-11(15)12(17)18/h10-11,14,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyWUGIENPGOMVCBI-UHFFFAOYSA-N
XLogP0.56
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859421
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 106244592
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid (CID 107151259) is 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid is CC(C)(C)CC(O)CNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is WUGIENPGOMVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-13(2,3)8-10(16)9-14-21(19,20)15-7-5-4-6-11(15)12(17)18/h10-11,14,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107151259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).