(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid

C7H10F3NO4S — CID 66262970

IUPAC(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-4-2-1-3-5(11)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m0/s1
InChIKeyZNLLPMQRTMRMKK-YFKPBYRVSA-N
MW261.22 g/mol
LogP0.78
Rot. Bonds2

About (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid

(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 66262970) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
PubChem CID66262970
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-4-2-1-3-5(11)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m0/s1
InChIKeyZNLLPMQRTMRMKK-YFKPBYRVSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 28606646
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
1-(2,4,6-trifluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 60971816
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid (CID 66262970) is (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is ZNLLPMQRTMRMKK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-4-2-1-3-5(11)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid?
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 261.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66262970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).