(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid

C7H11F2NO4S — CID 28606760

IUPAC(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyYUNDZAWVKIABBW-RXMQYKEDSA-N
MW243.23 g/mol
LogP0.34
Rot. Bonds3

About (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid

(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 28606760) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID28606760
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyYUNDZAWVKIABBW-RXMQYKEDSA-N
XLogP0.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-methanesulfonylpiperidine-3-carboxylic acid
CID 7174626
1-(Ethanesulfonyl)piperidine-3-carboxylic acid
CID 3614991
1-Methanesulfonylpiperidine-3-carboxylic acid
CID 3623812
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid
CID 60859395
1-Trifluoromethanesulfonylpiperidine-3-carboxylic acid
CID 43361305
1-(Fluorosulfonyl)piperidine-3-carboxylic acid
CID 165726908
(2S,3R)-1-tert-butylsulfonyl-2-(trifluoromethyl)piperidine-3-carboxylic acid
CID 138979823
1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
CID 45496794
1-(1,1,2,2,3,3-Hexafluoro-3-sulfopropyl)sulfonylpiperidine-3-carboxylic acid
CID 89032178
1-(Difluoromethylsulfonyl)-5-methylpiperidine-3-carboxylic acid
CID 176957026
1-(Propane-1-sulfonyl)piperidine-3-carboxylic acid
CID 4047206
(3S)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid
CID 28606764

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid (CID 28606760) is (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is YUNDZAWVKIABBW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c8-7(9)15(13,14)10-3-1-2-5(4-10)6(11)12/h5,7H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid?
(3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(difluoromethylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28606760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).