(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

C12H15F3N2O2S — CID 59152114

IUPAC(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C12H15F3N2O2S/c1-9-8-17(7-6-16-9)20(18,19)11-4-2-10(3-5-11)12(13,14)15/h2-5,9,16H,6-8H2,1H3/t9-/m1/s1
InChIKeyYXRANDHKVRJEIY-SECBINFHSA-N
MW308.33 g/mol
LogP1.69
Rot. Bonds2

About (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 59152114) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID59152114
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C12H15F3N2O2S/c1-9-8-17(7-6-16-9)20(18,19)11-4-2-10(3-5-11)12(13,14)15/h2-5,9,16H,6-8H2,1H3/t9-/m1/s1
InChIKeyYXRANDHKVRJEIY-SECBINFHSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 63872528
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982241
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
CID 120710435
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 59152114) is (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is YXRANDHKVRJEIY-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-9-8-17(7-6-16-9)20(18,19)11-4-2-10(3-5-11)12(13,14)15/h2-5,9,16H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 308.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 59152114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).