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

C8H16F3N3O2S — CID 18614340

IUPACN-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)14-6-7(5-12)1-3-13-4-2-7/h13-14H,1-6,12H2
InChIKeyZPOYIENCDLAFPL-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.25
Rot. Bonds4

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

N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 18614340) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID18614340
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC NameN-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)14-6-7(5-12)1-3-13-4-2-7/h13-14H,1-6,12H2
InChIKeyZPOYIENCDLAFPL-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (CID 18614340) is N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is NCC1(CNS(=O)(=O)C(F)(F)F)CCNCC1.
What is the InChIKey of N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZPOYIENCDLAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)17(15,16)14-6-7(5-12)1-3-13-4-2-7/h13-14H,1-6,12H2.
What are the key properties of N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 275.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 18614340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).