1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid

C10H20N2O5S — CID 114230140

IUPAC1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCCO)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-11(6-4-8-13)18(16,17)12-7-3-2-5-9(12)10(14)15/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyQUFMGJDXSUYFGF-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.52
Rot. Bonds6

About 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid

1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 114230140) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID114230140
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(CCCO)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-11(6-4-8-13)18(16,17)12-7-3-2-5-9(12)10(14)15/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyQUFMGJDXSUYFGF-UHFFFAOYSA-N
XLogP-0.52
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid (CID 114230140) is 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid is CN(CCCO)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is QUFMGJDXSUYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-11(6-4-8-13)18(16,17)12-7-3-2-5-9(12)10(14)15/h9,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114230140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).