1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C11H14F3N3O2S — CID 23133422

IUPAC1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3O2S/c1-20(18,19)17-6-4-16(5-7-17)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyNNINFNNFNRPXAY-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.18
Rot. Bonds2

About 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 23133422) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID23133422
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3O2S/c1-20(18,19)17-6-4-16(5-7-17)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyNNINFNNFNRPXAY-UHFFFAOYSA-N
XLogP1.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 23133422) is 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is NNINFNNFNRPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-20(18,19)17-6-4-16(5-7-17)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 309.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 23133422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).