1-sulfamoylpiperidine-4-carboxylic acid

C6H12N2O4S — CID 24701426

IUPAC1-sulfamoylpiperidine-4-carboxylic acid
SMILESNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C6H12N2O4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChIKeyRHSCFCIWXIKLFP-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.01
Rot. Bonds2

About 1-sulfamoylpiperidine-4-carboxylic acid

1-sulfamoylpiperidine-4-carboxylic acid (PubChem CID 24701426) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-sulfamoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-sulfamoylpiperidine-4-carboxylic acid
PubChem CID24701426
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name1-sulfamoylpiperidine-4-carboxylic acid
SMILESNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C6H12N2O4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChIKeyRHSCFCIWXIKLFP-UHFFFAOYSA-N
XLogP-1.01
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
1-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
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-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CID 60859394
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-(3,3,3-Trifluoropropylsulfamoyl)piperidine-4-carboxylic acid
CID 55220548
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-sulfamoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-sulfamoylpiperidine-4-carboxylic acid (CID 24701426) is 1-sulfamoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-sulfamoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-sulfamoylpiperidine-4-carboxylic acid is NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-sulfamoylpiperidine-4-carboxylic acid?
The InChIKey is RHSCFCIWXIKLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12).
What are the key properties of 1-sulfamoylpiperidine-4-carboxylic acid?
1-sulfamoylpiperidine-4-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 24701426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).