1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine

C13H17F3N2O4S2 — CID 47982910

IUPAC1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESCS(=O)(=O)N1CCCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O4S2/c1-23(19,20)18-8-4-5-10(9-18)17-11-6-2-3-7-12(11)24(21,22)13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3
InChIKeyLXZOILBPDNLSFD-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.82
Rot. Bonds4

About 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine

1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine (PubChem CID 47982910) has the molecular formula C13H17F3N2O4S2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
PubChem CID47982910
Molecular FormulaC13H17F3N2O4S2
Molecular Weight386.42 g/mol
Exact Mass386.06
IUPAC Name1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESCS(=O)(=O)N1CCCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O4S2/c1-23(19,20)18-8-4-5-10(9-18)17-11-6-2-3-7-12(11)24(21,22)13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3
InChIKeyLXZOILBPDNLSFD-UHFFFAOYSA-N
XLogP1.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
CID 71871132
2-methyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
CID 103889248
2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
CID 133473451
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 49430103
N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
CID 64921633
(3R)-N-(4-fluoro-2-nitrophenyl)-1-methylsulfonylpiperidin-3-amine
CID 94825818
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine (CID 47982910) is 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine is CS(=O)(=O)N1CCCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The InChIKey is LXZOILBPDNLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S2/c1-23(19,20)18-8-4-5-10(9-18)17-11-6-2-3-7-12(11)24(21,22)13(14,15)16/h2-3,6-7,10,17H,4-5,8-9H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine has a molecular weight of 386.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 47982910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).