3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide

C10H21F3N2O2S — CID 112740825

IUPAC3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide
SMILESCCC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-5-8(2)6-14-9(10(11,12)13)7-18(16,17)15(3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyXPHJIHZUICUCMC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.44
Rot. Bonds7

About 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide

3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide (PubChem CID 112740825) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide
PubChem CID112740825
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide
SMILESCCC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-5-8(2)6-14-9(10(11,12)13)7-18(16,17)15(3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyXPHJIHZUICUCMC-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-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 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide (CID 112740825) is 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide is CCC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide?
The InChIKey is XPHJIHZUICUCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-5-8(2)6-14-9(10(11,12)13)7-18(16,17)15(3)4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide?
3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethyl-2-(2-methylbutylamino)propane-1-sulfonamide is sourced from PubChem (CID 112740825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).