1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

C12H16F3N3O3S — CID 136535990

IUPAC1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESO=S(=O)(C1COC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H16F3N3O3S/c13-12(14,15)11-3-5-18(16-11)9-2-1-4-17(6-9)22(19,20)10-7-21-8-10/h3,5,9-10H,1-2,4,6-8H2
InChIKeyDRTQVDICXCHJLS-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.27
Rot. Bonds3

About 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 136535990) has the molecular formula C12H16F3N3O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID136535990
Molecular FormulaC12H16F3N3O3S
Molecular Weight339.34 g/mol
Exact Mass339.09
IUPAC Name1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESO=S(=O)(C1COC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H16F3N3O3S/c13-12(14,15)11-3-5-18(16-11)9-2-1-4-17(6-9)22(19,20)10-7-21-8-10/h3,5,9-10H,1-2,4,6-8H2
InChIKeyDRTQVDICXCHJLS-UHFFFAOYSA-N
XLogP1.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 136535990) is 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is O=S(=O)(C1COC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is DRTQVDICXCHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3S/c13-12(14,15)11-3-5-18(16-11)9-2-1-4-17(6-9)22(19,20)10-7-21-8-10/h3,5,9-10H,1-2,4,6-8H2.
What are the key properties of 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 339.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylsulfonyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 136535990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).