2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide

C9H17F3N2O4S — CID 103833981

IUPAC2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H17F3N2O4S/c1-6-4-14(5-7(2)18-6)19(16,17)13-3-8(15)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3
InChIKeyXIAIWCHVWVXOHH-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.15
Rot. Bonds4

About 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide

2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide (PubChem CID 103833981) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide
PubChem CID103833981
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H17F3N2O4S/c1-6-4-14(5-7(2)18-6)19(16,17)13-3-8(15)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3
InChIKeyXIAIWCHVWVXOHH-UHFFFAOYSA-N
XLogP-0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)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 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide (CID 103833981) is 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCC(O)C(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide?
The InChIKey is XIAIWCHVWVXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-6-4-14(5-7(2)18-6)19(16,17)13-3-8(15)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide?
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide has a molecular weight of 306.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 103833981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).