2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide

C10H20F3N3O3S — CID 106064651

IUPAC2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)8-19-6-4-15-20(17,18)16-5-2-1-3-9(16)7-14/h9,15H,1-8,14H2
InChIKeyYQQXUNAWHQZXPW-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.21
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 106064651) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
PubChem CID106064651
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC Name2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)8-19-6-4-15-20(17,18)16-5-2-1-3-9(16)7-14/h9,15H,1-8,14H2
InChIKeyYQQXUNAWHQZXPW-UHFFFAOYSA-N
XLogP0.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 61490307
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-amine
CID 61490747
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 62581843
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 63826418
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 63878441
[1-[2-(Trifluoromethoxy)ethyl]piperidin-2-yl]methanamine
CID 65804315
N-[6-(trifluoromethyl)piperidin-3-yl]morpholine-4-sulfonamide
CID 82812065
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 102977314
2-(2,2-difluoroethoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 105905682
N-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
CID 105906058
1-[2-(2,2-Difluoroethoxy)ethyl]piperidin-3-amine
CID 105918373

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide (CID 106064651) is 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is YQQXUNAWHQZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c11-10(12,13)8-19-6-4-15-20(17,18)16-5-2-1-3-9(16)7-14/h9,15H,1-8,14H2.
What are the key properties of 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 319.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106064651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).