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

C11H22F3N3O3S — CID 106064659

IUPAC2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-15-8-10-4-2-3-6-17(10)21(18,19)16-5-7-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyQXPQHCWVASWBGX-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.47
Rot. Bonds8

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

2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 106064659) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
PubChem CID106064659
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-15-8-10-4-2-3-6-17(10)21(18,19)16-5-7-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyQXPQHCWVASWBGX-UHFFFAOYSA-N
XLogP0.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide (CID 106064659) is 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is QXPQHCWVASWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-15-8-10-4-2-3-6-17(10)21(18,19)16-5-7-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide?
2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106064659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).