(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride

C6H9ClF3NO2S — CID 98868741

IUPAC(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-3-1-2-5(4-11)6(8,9)10/h5H,1-4H2/t5-/m0/s1
InChIKeyZUCVSILJXILSOY-YFKPBYRVSA-N
MW251.66 g/mol
LogP1.74
Rot. Bonds1

About (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride

(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride (PubChem CID 98868741) has the molecular formula C6H9ClF3NO2S and a molecular weight of 251.66 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride
PubChem CID98868741
Molecular FormulaC6H9ClF3NO2S
Molecular Weight251.66 g/mol
Exact Mass251.00
IUPAC Name(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-3-1-2-5(4-11)6(8,9)10/h5H,1-4H2/t5-/m0/s1
InChIKeyZUCVSILJXILSOY-YFKPBYRVSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The IUPAC name of (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride (CID 98868741) is (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride.
What is the SMILES notation for (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The canonical SMILES for (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The InChIKey is ZUCVSILJXILSOY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-3-1-2-5(4-11)6(8,9)10/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride?
(3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride has a molecular weight of 251.66 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)piperidine-1-sulfonyl chloride is sourced from PubChem (CID 98868741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).