N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine

C7H13F3N2O2S — CID 70821116

IUPACN-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-11-6-2-4-12(5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyQEKWPDNXVYRCOU-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.52
Rot. Bonds2

About N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine

N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine (PubChem CID 70821116) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
PubChem CID70821116
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-11-6-2-4-12(5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyQEKWPDNXVYRCOU-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine (CID 70821116) is N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine is CNC1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The InChIKey is QEKWPDNXVYRCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-11-6-2-4-12(5-3-6)15(13,14)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine?
N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine has a molecular weight of 246.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 70821116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).