1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

C12H24N2O5S — CID 107198638

IUPAC1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CCCCCO)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O5S/c1-13(7-3-2-4-10-15)20(18,19)14-8-5-11(6-9-14)12(16)17/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyFOSZABQJRRCGJK-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.12
Rot. Bonds8

About 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 107198638) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID107198638
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(CCCCCO)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O5S/c1-13(7-3-2-4-10-15)20(18,19)14-8-5-11(6-9-14)12(16)17/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyFOSZABQJRRCGJK-UHFFFAOYSA-N
XLogP0.12
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
Ethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
CID 670002
Ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate
CID 62227280
Ethyl 2-hydroxy-1-methylsulfonylpiperidine-4-carboxylate
CID 135151968
4-[4-(2-Hydroxyethyl)piperidin-1-yl]butanoic acid
CID 173926814
Methyl 1-[(dimethylamino)sulfonyl]piperidine-4-carboxylate
CID 4593023
4-[4-(1-Hydroxypropan-2-yl)piperidin-1-yl]butanoic acid
CID 21696022
1-{[Butyl(ethyl)amino]sulfonyl}piperidine-4-carboxylic acid
CID 25219592
1-(Diethylsulfamoyl)piperidine-4-carboxylic acid
CID 28784035
4-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43151878

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (CID 107198638) is 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is CN(CCCCCO)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is FOSZABQJRRCGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-13(7-3-2-4-10-15)20(18,19)14-8-5-11(6-9-14)12(16)17/h11,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 107198638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).