1-fluorosulfonylpiperidine-4-carboxylic acid

C6H10FNO4S — CID 130225324

IUPAC1-fluorosulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H10FNO4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyINNKMRBKVRNGQM-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.00
Rot. Bonds2

About 1-fluorosulfonylpiperidine-4-carboxylic acid

1-fluorosulfonylpiperidine-4-carboxylic acid (PubChem CID 130225324) has the molecular formula C6H10FNO4S and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-fluorosulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-fluorosulfonylpiperidine-4-carboxylic acid
PubChem CID130225324
Molecular FormulaC6H10FNO4S
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name1-fluorosulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H10FNO4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyINNKMRBKVRNGQM-UHFFFAOYSA-N
XLogP-0.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
2-[1-(Fluorosulfonyl)piperidin-4-yl]acetic acid
CID 139026729
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-Trifluoromethanesulfonylpiperidine-4-carboxylic acid
CID 21747792
1-Fluoropiperidine-4-carboxylic acid
CID 90046980
1-Difluoromethanesulfonylpiperidine-4-carboxylic acid
CID 28606741
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
1-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65533847

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-fluorosulfonylpiperidine-4-carboxylic acid (CID 130225324) is 1-fluorosulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-fluorosulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-fluorosulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 1-fluorosulfonylpiperidine-4-carboxylic acid?
The InChIKey is INNKMRBKVRNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO4S/c7-13(11,12)8-3-1-5(2-4-8)6(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 1-fluorosulfonylpiperidine-4-carboxylic acid?
1-fluorosulfonylpiperidine-4-carboxylic acid has a molecular weight of 211.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 130225324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).