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

C7H14N2O5S — CID 130884423

IUPAC1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(O)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O5S/c1-8(12)15(13,14)9-4-2-6(3-5-9)7(10)11/h6,12H,2-5H2,1H3,(H,10,11)
InChIKeyGVRNBAJOKTWZMV-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.65
Rot. Bonds3

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

1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 130884423) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID130884423
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(O)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H14N2O5S/c1-8(12)15(13,14)9-4-2-6(3-5-9)7(10)11/h6,12H,2-5H2,1H3,(H,10,11)
InChIKeyGVRNBAJOKTWZMV-UHFFFAOYSA-N
XLogP-0.65
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
Hydroxyisonipecotic acid
CID 5254830
1-methylpiperidine-4-carboxylic acid N-oxide
CID 171383558
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60891179
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60952455
1-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61605874

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid (CID 130884423) is 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid is CN(O)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is GVRNBAJOKTWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-8(12)15(13,14)9-4-2-6(3-5-9)7(10)11/h6,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 130884423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).