N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide

C9H18F3N3O2S — CID 18614312

IUPACN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN1CCC(CN)(CNS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-15-4-2-8(6-13,3-5-15)7-14-18(16,17)9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyODLZEDIAMDYUJM-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.10
Rot. Bonds4

About N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide

N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 18614312) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID18614312
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN1CCC(CN)(CNS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-15-4-2-8(6-13,3-5-15)7-14-18(16,17)9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyODLZEDIAMDYUJM-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (CID 18614312) is N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is CN1CCC(CN)(CNS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ODLZEDIAMDYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-15-4-2-8(6-13,3-5-15)7-14-18(16,17)9(10,11)12/h14H,2-7,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 18614312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).