1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid

C11H22N2O5S — CID 106120554

IUPAC1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(O)CCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-9(14)5-4-7-12-19(17,18)13-8-3-2-6-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyLGRNYPUXVMWRIE-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.08
Rot. Bonds7

About 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid

1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 106120554) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID106120554
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
SMILESCC(O)CCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-9(14)5-4-7-12-19(17,18)13-8-3-2-6-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyLGRNYPUXVMWRIE-UHFFFAOYSA-N
XLogP-0.08
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 106244592
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60926710
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid (CID 106120554) is 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid is CC(O)CCCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is LGRNYPUXVMWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(14)5-4-7-12-19(17,18)13-8-3-2-6-10(13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid?
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106120554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).