4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine

C15H18F3N3O2S2 — CID 46396405

IUPAC4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H18F3N3O2S2/c1-9-3-5-21(6-4-9)25(22,23)13-8-12(24-10(13)2)11-7-14(20-19-11)15(16,17)18/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyXXFNDPVFZFRHDT-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.89
Rot. Bonds3

About 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine

4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine (PubChem CID 46396405) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine
PubChem CID46396405
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC Name4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H18F3N3O2S2/c1-9-3-5-21(6-4-9)25(22,23)13-8-12(24-10(13)2)11-7-14(20-19-11)15(16,17)18/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyXXFNDPVFZFRHDT-UHFFFAOYSA-N
XLogP3.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine?
The IUPAC name of 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine (CID 46396405) is 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine?
The InChIKey is XXFNDPVFZFRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c1-9-3-5-21(6-4-9)25(22,23)13-8-12(24-10(13)2)11-7-14(20-19-11)15(16,17)18/h7-9H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine?
4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine has a molecular weight of 393.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonylpiperidine is sourced from PubChem (CID 46396405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).