1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine

C15H20F3N3O3S — CID 170143862

IUPAC1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-7-5-20(6-8-21)12-4-9-24-10-12/h2-3,12H,4-10H2,1H3
InChIKeySOZHNRCQBMQJGR-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.50
Rot. Bonds3

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

1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine (PubChem CID 170143862) 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-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine
PubChem CID170143862
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine
SMILESCc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-7-5-20(6-8-21)12-4-9-24-10-12/h2-3,12H,4-10H2,1H3
InChIKeySOZHNRCQBMQJGR-UHFFFAOYSA-N
XLogP1.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine?
The IUPAC name of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine (CID 170143862) is 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine.
What is the SMILES notation for 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine?
The canonical SMILES for 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine is Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C2CCOC2)CC1.
What is the InChIKey of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine?
The InChIKey is SOZHNRCQBMQJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-11-13(2-3-14(19-11)15(16,17)18)25(22,23)21-7-5-20(6-8-21)12-4-9-24-10-12/h2-3,12H,4-10H2,1H3.
What are the key properties of 1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine?
1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine has a molecular weight of 379.40 g/mol, XLogP of 1.50, 3 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-(oxolan-3-yl)piperazine is sourced from PubChem (CID 170143862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).