1-(methoxysulfamoyl)piperidine-2-carboxylic acid

C7H14N2O5S — CID 64974074

IUPAC1-(methoxysulfamoyl)piperidine-2-carboxylic acid
SMILESCONS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-14-8-15(12,13)9-5-3-2-4-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXXXKCDLKYGVFRD-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.68
Rot. Bonds4

About 1-(methoxysulfamoyl)piperidine-2-carboxylic acid

1-(methoxysulfamoyl)piperidine-2-carboxylic acid (PubChem CID 64974074) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(methoxysulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(methoxysulfamoyl)piperidine-2-carboxylic acid
PubChem CID64974074
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name1-(methoxysulfamoyl)piperidine-2-carboxylic acid
SMILESCONS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-14-8-15(12,13)9-5-3-2-4-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXXXKCDLKYGVFRD-UHFFFAOYSA-N
XLogP-0.68
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.68
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-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-(cyanosulfamoyl)piperidine-2-carboxylic acid
CID 79194973
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762

Frequently Asked Questions

What is the IUPAC name of 1-(methoxysulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(methoxysulfamoyl)piperidine-2-carboxylic acid (CID 64974074) is 1-(methoxysulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(methoxysulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(methoxysulfamoyl)piperidine-2-carboxylic acid is CONS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(methoxysulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is XXXKCDLKYGVFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-14-8-15(12,13)9-5-3-2-4-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(methoxysulfamoyl)piperidine-2-carboxylic acid?
1-(methoxysulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxysulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 64974074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).