2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

C8H16F3N3O3S — CID 114811190

IUPAC2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCNCC1CN(S(=O)(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H16F3N3O3S/c1-12-4-7-5-14(2-3-17-7)18(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyABAKRMVOIPKMIP-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.70
Rot. Bonds5

About 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (PubChem CID 114811190) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
PubChem CID114811190
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESCNCC1CN(S(=O)(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H16F3N3O3S/c1-12-4-7-5-14(2-3-17-7)18(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyABAKRMVOIPKMIP-UHFFFAOYSA-N
XLogP-0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (CID 114811190) is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is CNCC1CN(S(=O)(=O)NCC(F)(F)F)CCO1.
What is the InChIKey of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The InChIKey is ABAKRMVOIPKMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-12-4-7-5-14(2-3-17-7)18(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide has a molecular weight of 291.30 g/mol, XLogP of -0.70, 5 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-trifluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).