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

C13H14F3N3O2S2 — CID 71166129

IUPAC1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1
InChIInChI=1S/C13H14F3N3O2S2/c14-13(15,16)11-8-9(17-18-11)10-4-5-12(22-10)23(20,21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7H2,(H,17,18)
InChIKeyPKDSIIAOEADXTH-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.33
Rot. Bonds3

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

1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine (PubChem CID 71166129) has the molecular formula C13H14F3N3O2S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
PubChem CID71166129
Molecular FormulaC13H14F3N3O2S2
Molecular Weight365.40 g/mol
Exact Mass365.05
IUPAC Name1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1
InChIInChI=1S/C13H14F3N3O2S2/c14-13(15,16)11-8-9(17-18-11)10-4-5-12(22-10)23(20,21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7H2,(H,17,18)
InChIKeyPKDSIIAOEADXTH-UHFFFAOYSA-N
XLogP3.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The IUPAC name of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine (CID 71166129) is 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The canonical SMILES for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1.
What is the InChIKey of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
The InChIKey is PKDSIIAOEADXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S2/c14-13(15,16)11-8-9(17-18-11)10-4-5-12(22-10)23(20,21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7H2,(H,17,18).
What are the key properties of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine?
1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine has a molecular weight of 365.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine is sourced from PubChem (CID 71166129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).