3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide

C9H19F3N2O3S — CID 112740830

IUPAC3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide
SMILESCOC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-7(17-4)5-13-8(9(10,11)12)6-18(15,16)14(2)3/h7-8,13H,5-6H2,1-4H3
InChIKeyAUAVUQLGJLTTRC-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.43
Rot. Bonds7

About 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide

3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide (PubChem CID 112740830) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide
PubChem CID112740830
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide
SMILESCOC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-7(17-4)5-13-8(9(10,11)12)6-18(15,16)14(2)3/h7-8,13H,5-6H2,1-4H3
InChIKeyAUAVUQLGJLTTRC-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide (CID 112740830) is 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide is COC(C)CNC(CS(=O)(=O)N(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is AUAVUQLGJLTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-7(17-4)5-13-8(9(10,11)12)6-18(15,16)14(2)3/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide?
3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methoxypropylamino)-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 112740830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).