1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine

C15H20F3N3O3S — CID 170143940

IUPAC1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2COC2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-6-4-20(5-7-21)8-12-9-24-10-12/h2-3,12H,4-10H2,1H3
InChIKeyPEPRIDYNRYOCGA-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.36
Rot. Bonds4

About 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine

1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine (PubChem CID 170143940) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine
PubChem CID170143940
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2COC2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-6-4-20(5-7-21)8-12-9-24-10-12/h2-3,12H,4-10H2,1H3
InChIKeyPEPRIDYNRYOCGA-UHFFFAOYSA-N
XLogP1.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine
CID 170143862
2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 169161083
(3aR,6aS)-N-methyl-2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-N-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175980902
tert-butyl 4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 170143798
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine
CID 170144103
2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 169161169
2-[[6-(1,1-difluoroethyl)-2-methyl-3-pyridinyl]sulfonyl]-N-methyl-N-(oxetan-3-yl)-2-azaspiro[3.3]heptan-6-amine
CID 170738090
2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[1-(oxolan-3-yl)ethyl]-2,6-diazaspiro[3.3]heptane
CID 176763216
1-(cyclopropylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 87024873
2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[(1S)-1-(oxan-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane
CID 169160879
1-[[2-ethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxan-4-yl)piperazine
CID 170144124
1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-4-(oxan-4-ylmethyl)piperazine
CID 170144144

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine?
The IUPAC name of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine (CID 170143940) is 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine?
The canonical SMILES for 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine is Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2COC2)CC1.
What is the InChIKey of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine?
The InChIKey is PEPRIDYNRYOCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-6-4-20(5-7-21)8-12-9-24-10-12/h2-3,12H,4-10H2,1H3.
What are the key properties of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine?
1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine has a molecular weight of 379.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxetan-3-ylmethyl)piperazine is sourced from PubChem (CID 170143940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).