(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine

C9H14F6N2O4S2 — CID 97260152

IUPAC(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H14F6N2O4S2/c1-7-4-16(22(18,19)5-8(10,11)12)2-3-17(7)23(20,21)6-9(13,14)15/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyBYLFILJLYPGKOS-ZETCQYMHSA-N
MW392.34 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine

(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine (PubChem CID 97260152) has the molecular formula C9H14F6N2O4S2 and a molecular weight of 392.34 g/mol. Its IUPAC name is (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine
PubChem CID97260152
Molecular FormulaC9H14F6N2O4S2
Molecular Weight392.34 g/mol
Exact Mass392.03
IUPAC Name(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C9H14F6N2O4S2/c1-7-4-16(22(18,19)5-8(10,11)12)2-3-17(7)23(20,21)6-9(13,14)15/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyBYLFILJLYPGKOS-ZETCQYMHSA-N
XLogP0.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine?
The IUPAC name of (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine (CID 97260152) is (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine is C[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1S(=O)(=O)CC(F)(F)F.
What is the InChIKey of (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine?
The InChIKey is BYLFILJLYPGKOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F6N2O4S2/c1-7-4-16(22(18,19)5-8(10,11)12)2-3-17(7)23(20,21)6-9(13,14)15/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine?
(2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine has a molecular weight of 392.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1,4-bis(2,2,2-trifluoroethylsulfonyl)piperazine is sourced from PubChem (CID 97260152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).