6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine

C12H24F3N3O2S — CID 116535289

IUPAC6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-11(10-16,4-3-5-12(13,14)15)17-6-8-18(9-7-17)21(2,19)20/h3-10,16H2,1-2H3
InChIKeyTXNFSLAAFWZPPF-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.01
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine

6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine (PubChem CID 116535289) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
PubChem CID116535289
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-11(10-16,4-3-5-12(13,14)15)17-6-8-18(9-7-17)21(2,19)20/h3-10,16H2,1-2H3
InChIKeyTXNFSLAAFWZPPF-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
CID 94197261
[4,4-Difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561921
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 59268340
N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
CID 139343709
N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 142582694
N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 166008470
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide
CID 28940568
5-[4-(Difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 43252332
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 43252352
2-[4-(Difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 55201393
N-[[1-(difluoromethylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55256487

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine (CID 116535289) is 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine is CC(CN)(CCCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine?
The InChIKey is TXNFSLAAFWZPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-11(10-16,4-3-5-12(13,14)15)17-6-8-18(9-7-17)21(2,19)20/h3-10,16H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine has a molecular weight of 331.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine is sourced from PubChem (CID 116535289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).