(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine

C14H19F3N2O4S — CID 154162564

IUPAC(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2[C@H](C)CNC[C@@H]2C)cc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-9-7-18-8-10(2)19(9)24(20,21)11-4-5-12(22-3)13(6-11)23-14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3/t9-,10+
InChIKeyWYRYKQQSCJCHAA-AOOOYVTPSA-N
MW368.38 g/mol
LogP1.96
Rot. Bonds4

About (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine

(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine (PubChem CID 154162564) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine
PubChem CID154162564
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2[C@H](C)CNC[C@@H]2C)cc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-9-7-18-8-10(2)19(9)24(20,21)11-4-5-12(22-3)13(6-11)23-14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3/t9-,10+
InChIKeyWYRYKQQSCJCHAA-AOOOYVTPSA-N
XLogP1.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine (CID 154162564) is (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine is COc1ccc(S(=O)(=O)N2[C@H](C)CNC[C@@H]2C)cc1OC(F)(F)F.
What is the InChIKey of (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine?
The InChIKey is WYRYKQQSCJCHAA-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-9-7-18-8-10(2)19(9)24(20,21)11-4-5-12(22-3)13(6-11)23-14(15,16)17/h4-6,9-10,18H,7-8H2,1-3H3/t9-,10+.
What are the key properties of (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine?
(2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine has a molecular weight of 368.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-[4-methoxy-3-(trifluoromethoxy)phenyl]sulfonyl-2,6-dimethylpiperazine is sourced from PubChem (CID 154162564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).