1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid

C10H15N3O5S — CID 114185928

IUPAC1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O5S/c14-10(15)9-3-1-2-6-13(9)19(16,17)12-7-8-4-5-11-18-8/h4-5,9,12H,1-3,6-7H2,(H,14,15)
InChIKeyGSQZOPXITDFEOH-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.05
Rot. Bonds5

About 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid

1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 114185928) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID114185928
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O5S/c14-10(15)9-3-1-2-6-13(9)19(16,17)12-7-8-4-5-11-18-8/h4-5,9,12H,1-3,6-7H2,(H,14,15)
InChIKeyGSQZOPXITDFEOH-UHFFFAOYSA-N
XLogP-0.05
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423550
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid
CID 60859548
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106423900
4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106424009
1-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859217
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid (CID 114185928) is 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is GSQZOPXITDFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-10(15)9-3-1-2-6-13(9)19(16,17)12-7-8-4-5-11-18-8/h4-5,9,12H,1-3,6-7H2,(H,14,15).
What are the key properties of 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114185928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).