1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid

C11H22N2O6S — CID 106244592

IUPAC1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOCC(O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-19-8-9(14)5-6-12-20(17,18)13-7-3-2-4-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyBOFVXFFDDGWXPZ-UHFFFAOYSA-N
MW310.37 g/mol
LogP-0.84
Rot. Bonds8

About 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid

1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 106244592) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID106244592
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCOCC(O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-19-8-9(14)5-6-12-20(17,18)13-7-3-2-4-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyBOFVXFFDDGWXPZ-UHFFFAOYSA-N
XLogP-0.84
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
CID 107151259
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60926710
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid (CID 106244592) is 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid is COCC(O)CCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is BOFVXFFDDGWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-19-8-9(14)5-6-12-20(17,18)13-7-3-2-4-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 310.37 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106244592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).